Geometry & MOs

Info

ID:	422302
PubChem CID:	135117595
Reduced:	OSN3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	358.075406
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	7.16
IP(EA), eV:	-8.99(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CN(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2)C

DOS

IR

Vibrations