Geometry & MOs

Info

ID:	369049
PubChem CID:	127331171
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-165.22
Dipole, Da:	6.55
IP(EA), eV:	-9.46(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylsulfonylpiperidin-4-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CCC1COCCN1C(=O)NC2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations