Geometry & MOs

Info

ID:	46862
PubChem CID:	10527981
Reduced:	ClO3N8C20H25 (1)
Stoich.:	AB3C8D20E25 (1)
Weight, g/mol:	460.165266
ΔH_f, kcal/mol:	-61.99
Dipole, Da:	0.33
IP(EA), eV:	-9.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,10S,12S,14S,17R)-8-chloro-5-[(1E,3Z,5S)-3,5-dimethylhepta-1,3-dienyl]-12-hydroxy-10,14-dimethyl-4,11,15-trioxatetracyclo[8.7.0.02,7.012,17]heptadeca-2,5,7-triene-9,16-dione

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]1C(=O)N[C@H](C(=O)N[C@H](CCCNC2=NC(=NC(=N2)Cl)N1)C(=O)N)CC3=CC=CC=C3

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]1C(=O)N[C@H](C(=O)N[C@H](CCCNC2=NC(=NC(=N2)Cl)N1)C(=O)N)CC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):