Geometry & MOs

Info

ID:	328065
PubChem CID:	126691927
Reduced:	F2N3O5C32H33 (1)
Stoich.:	A2B3C5D32E33 (1)
Weight, g/mol:	511.336277
ΔH_f, kcal/mol:	-237.8
Dipole, Da:	9.72
IP(EA), eV:	-8.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E,7Z,11E,13E)-4-(C,N-dimethylcarbonimidoyl)-8-N,5-bis(ethenyl)-10-ethynyl-14-fluoro-10-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3,11-dimethylhexadeca-1,3,5,7,11,13,15-heptaene-7,8-diamine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CCC(CC5)C(=O)O)O)C6=CC(=C(C=C6)F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1[C@H](OC(=O)N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CCC(CC5)C(=O)O)O)C6=CC(=C(C=C6)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):