Geometry & MOs

Info

ID:

187713

PubChem CID:

77612671

Reduced:

NO2C20H24 (2)

Stoich.:

AB2C20D24 (2)

Weight, g/mol:

389.292994

ΔHf, kcal/mol:

-94.93

Dipole, Da:

4.59

IP(EA), eV:

 -8.32(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-hydroxy-10,13-dimethyl-7-methylidene-2,3,4,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 3-amino-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)C=CCOC3=CC=C(C=C3)CCNC(=O)O)OCC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations