Geometry & MOs

Info

ID:	359193
PubChem CID:	127297610
Reduced:	NSO3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	289.146013
ΔH_f, kcal/mol:	-131.72
Dipole, Da:	4.01
IP(EA), eV:	-8.71(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexylsulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(CCO2)NS(=O)(=O)C3CCCCC3

DOS

IR

Vibrations