Geometry & MOs

Info

ID:

390941

PubChem CID:

135001695

Reduced:

NSO4C21H25 (1)

Stoich.:

ABC4D21E25 (1)

Weight, g/mol:

430.30831

ΔHf, kcal/mol:

-135.69

Dipole, Da:

6.92

IP(EA), eV:

 -8.98(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (4R)-4-[(3R,5R,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CC1(C2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)/C=C/C4=C5CCOC5=CC=C4)C

DOS

IR

Vibrations