Geometry & MOs

Info

ID:

305337

PubChem CID:

124768012

Reduced:

NSO5C23H23 (1)

Stoich.:

ABC5D23E23 (1)

Weight, g/mol:

285.24565

ΔHf, kcal/mol:

-147.45

Dipole, Da:

6.06

IP(EA), eV:

 -8.95(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,5S,8R,9R,10S,13S,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)[C@H]3[C@@H]4C[C@@H]([C@H]3C(=O)O)C=C4

DOS

IR

Vibrations