Geometry & MOs

Info

ID:

219881

PubChem CID:

85165003

Reduced:

S2N3O7C30H35 (1)

Stoich.:

A2B3C7D30E35 (1)

Weight, g/mol:

611.345818

ΔHf, kcal/mol:

-254.51

Dipole, Da:

8.22

IP(EA), eV:

 -8.9(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[7-acetyloxy-3-formyloxy-10,13-dimethyl-12-(phenylcarbamoyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CCCCC(=O)NCC1=C(SC2C1C(=O)N(C(=O)N2CC3=CC=CC=C3SC)CC(=O)O)C4=CC=C(C=C4)OCOC

DOS

IR

Vibrations