Geometry & MOs

Info

ID:

45171

PubChem CID:

10508697

Reduced:

N5O6C39H41 (1)

Stoich.:

A5B6C39D41 (1)

Weight, g/mol:

675.249999

ΔHf, kcal/mol:

-186.45

Dipole, Da:

7.16

IP(EA), eV:

 -8.6(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R,7S)-6-chloro-9-[3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)propyl]-2-[(4-phenylmethoxyphenyl)methyl]-4-oxa-1,8-diazabicyclo[5.3.1]undec-8-en-10-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCCC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations