Geometry & MOs

Info

ID:

415881

PubChem CID:

135088883

Reduced:

O3N4C16H24 (1)

Stoich.:

A3B4C16D24 (1)

Weight, g/mol:

613.383934

ΔHf, kcal/mol:

-101.26

Dipole, Da:

4.8

IP(EA), eV:

 -9.17(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,8S)-14-(cyclopentanecarbonyl)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-2-(2-methylpropyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O)C)C

DOS

IR

Vibrations