Geometry & MOs

Info

ID:	422993
PubChem CID:	135118741
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	358.075406
ΔH_f, kcal/mol:	-30.07
Dipole, Da:	4.44
IP(EA), eV:	-9.46(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(3-chloro-4-methylphenyl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC(=CC=C2)C(=O)NC(C)C3=NC(=NO3)CCOC

DOS

IR

Vibrations