Geometry & MOs

Info

ID:

161060

PubChem CID:

57390648

Reduced:

ClO2N3C30H36 (1)

Stoich.:

AB2C3D30E36 (1)

Weight, g/mol:

730.395995

ΔHf, kcal/mol:

-62.87

Dipole, Da:

5.05

IP(EA), eV:

 -8.9(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,5R,6S)-5-acetyloxy-6-[(1S,3S,7S,8S,11S,12S,14S,15R,16R)-14-acetyloxy-7,12,16-trimethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-enyl]-2-methyl-3-methylidene-4-oxoheptyl] 4-methylpiperazine-1-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C2=CC=CC=C2)[C@@H](C(=O)NC(C3=CC=C(C=C3)Cl)C(C)C)NC(=O)C(C)(C)N

DOS

IR

Vibrations