Geometry & MOs

Info

ID:

44665

PubChem CID:

10505182

Reduced:

N5O6C24H35 (1)

Stoich.:

A5B6C24D35 (1)

Weight, g/mol:

489.194935

ΔHf, kcal/mol:

-228.62

Dipole, Da:

3.59

IP(EA), eV:

 -9.49(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4bS,7S,8aR,9S)-2,3-dimethoxy-4b,8,8-trimethyl-7-[4-(trifluoromethyl)phenyl]sulfanyl-5,6,7,8a,9,10-hexahydrophenanthrene-9-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CNC(=O)CC1CC(=NO1)C2=CC=C(C=C2)/C(=N\C(=O)OC(C)(C)C)/N)N

DOS

IR

Vibrations