Geometry & MOs

Info

ID:

147140

PubChem CID:

53786793

Reduced:

NSC19H25 (1)

Stoich.:

ABC19D25 (1)

Weight, g/mol:

460.209718

ΔHf, kcal/mol:

17.61

Dipole, Da:

2.1

IP(EA), eV:

 -8.2(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(8S,9S,10S,13S,14S,17S)-10-(2-carboxy-1-hydroxyethyl)-13-methyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC[C@H](CCC1=CC=C(C=C1)N)CSCC2=CC=CC=C2

DOS

IR

Vibrations