Geometry & MOs

Info

ID:	328088
PubChem CID:	126692018
Reduced:	F2N3O5C29H29 (1)
Stoich.:	A2B3C5D29E29 (1)
Weight, g/mol:	473.198238
ΔH_f, kcal/mol:	-228.39
Dipole, Da:	5.83
IP(EA), eV:	-8.6(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyridin-2-yl)-[5-(3,5-dimethyl-2H-pyrrol-4-yl)-2-(ethenylamino)-3-(methylamino)phenyl]-(5-methylpyridin-2-yl)methanol

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)CCC(=O)OC)O)C5=CC(=C(C=C5)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)CCC(=O)OC)O)C5=CC(=C(C=C5)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):