Geometry & MOs

Info

ID:

188371

PubChem CID:

77705847

Reduced:

SN4O9C30H36 (1)

Stoich.:

AB4C9D30E36 (1)

Weight, g/mol:

566.275628

ΔHf, kcal/mol:

-209.37

Dipole, Da:

7.8

IP(EA), eV:

 -8.85(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-2-nitro-4-[2-(trifluoromethoxy)phenyl]aniline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)N(CC2=C(N=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations