Geometry & MOs

Info

ID:	435708
PubChem CID:	135192214
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-75.61
Dipole, Da:	3.27
IP(EA), eV:	-8.78(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethylamino)-1-(cyclohex-2-en-1-ylmethyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CS(=O)(=O)NC2=CC3=C(C=C2)N(C(=O)CC3)CC=C

DOS

IR

Vibrations