Geometry & MOs

Info

ID:

187546

PubChem CID:

77588852

Reduced:

SN3O6C24H33 (1)

Stoich.:

AB3C6D24E33 (1)

Weight, g/mol:

476.313789

ΔHf, kcal/mol:

-241.36

Dipole, Da:

5.54

IP(EA), eV:

 -8.99(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-(3-carboxypropanoyl)-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(NCC1C(N(C(O1)(C)C)C(=O)O)CC2=CC=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)N

DOS

IR

Vibrations