Geometry & MOs

Info

ID:	416989
PubChem CID:	135090997
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	344.059756
ΔH_f, kcal/mol:	-131.86
Dipole, Da:	5.18
IP(EA), eV:	-8.92(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)N1CCC2(CC1)C3=C(CCO2)C=C(C=C3)OC

DOS

IR

Vibrations