Geometry & MOs

Info

ID:	359173
PubChem CID:	127297590
Reduced:	ClNSO3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	386.1334
ΔH_f, kcal/mol:	-128.92
Dipole, Da:	4.66
IP(EA), eV:	-8.93(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-4-cyclohexylsulfonyl-1,4-diazepane

Drug info:

PubChemData

Smile

C1CCC(CC1)S(=O)(=O)NC2CCOC3=C2C=CC=C3Cl

DOS

IR

Vibrations