Geometry & MOs

Info

ID:

219393

PubChem CID:

85148355

Reduced:

NS3O4C23H29 (1)

Stoich.:

AB3C4D23E29 (1)

Weight, g/mol:

478.4287

ΔHf, kcal/mol:

-103.9

Dipole, Da:

7.69

IP(EA), eV:

 -8.16(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-[1-(dimethylamino)ethyl]-N,10,13-trimethyl-N-(3-phenylpropyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine

Drug info:

PubChemData

Smile

CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C(C=C3)(SC)SC)S)OC)OC)OC

DOS

IR

Vibrations