Geometry & MOs

Info

ID:

334781

PubChem CID:

127253456

Reduced:

N5O6C39H53 (1)

Stoich.:

A5B6C39D53 (1)

Weight, g/mol:

422.15902

ΔHf, kcal/mol:

-144.23

Dipole, Da:

7.21

IP(EA), eV:

 -8.26(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9R)-5-nitro-11-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)N1CCN(CC1)CCN2C(=CC=C2C)C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations