Geometry & MOs

Info

ID:	21542
PubChem CID:	588878
Reduced:	NO3C27H49 (1)
Stoich.:	AB3C27D49 (1)
Weight, g/mol:	435.371244
ΔH_f, kcal/mol:	-229.05
Dipole, Da:	4.21
IP(EA), eV:	-9.41(2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(7-amino-3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

Drug info:

PubChemData

Smile

CC(CCC(C(C)C1C(CC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O)CN

DOS

IR

Vibrations