Geometry & MOs

Info

ID:	369050
PubChem CID:	127331172
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-159.01
Dipole, Da:	5.31
IP(EA), eV:	-9.56(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylsulfonylpiperidin-4-yl)-4-methyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCOC1)C(=O)NC2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations