Geometry & MOs

Info

ID:

223708

PubChem CID:

85335455

Reduced:

ClSN4O4C24H27 (1)

Stoich.:

ABC4D4E24F27 (1)

Weight, g/mol:

503.445078

ΔHf, kcal/mol:

-100.26

Dipole, Da:

8.88

IP(EA), eV:

 -9.47(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-aminopropyl(methyl)amino]propyl]-4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(CCC#N)C1CCC1)N2CCC(C2=O)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

DOS

IR

Vibrations