Geometry & MOs

Info

ID:

420767

PubChem CID:

135114783

Reduced:

N5O7C32H43 (1)

Stoich.:

A5B7C32D43 (1)

Weight, g/mol:

356.069448

ΔHf, kcal/mol:

-253.98

Dipole, Da:

6.12

IP(EA), eV:

 -9.04(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R)-7-[2-(3,4-dichlorophenyl)acetyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](COC2=CC=C(C[C@@H](C(=O)N1)NC(=O)C)C=C2)CC3=CC=CC=C3)C(C)C)[C@@H](C)O

DOS

IR

Vibrations