Geometry & MOs

Info

ID:

49235

PubChem CID:

11532188

Reduced:

OSN2H10C11 (2)

Stoich.:

ABC2D10E11 (2)

Weight, g/mol:

436.318875

ΔHf, kcal/mol:

20.7

Dipole, Da:

1.59

IP(EA), eV:

 -8.76(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxyethyl (4R)-4-[(3S,7S,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCCC(=O)NN)C4=CC=CC=C4

DOS

IR

Vibrations