Geometry & MOs

Info

ID:

401979

PubChem CID:

135053666

Reduced:

NO4C19H27 (1)

Stoich.:

AB4C19D27 (1)

Weight, g/mol:

573.272653

ΔHf, kcal/mol:

-173.48

Dipole, Da:

1.95

IP(EA), eV:

 -9.44(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 3-[(3S,10R,13S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]indolizine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@H]([C@H](N[C@@]1(C)C(=O)OC)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations