Geometry & MOs

Info

ID:	61729
PubChem CID:	26712222
Reduced:	N3S3O5C21H29 (1)
Stoich.:	A3B3C5D21E29 (1)
Weight, g/mol:	363.069592
ΔH_f, kcal/mol:	-159.51
Dipole, Da:	6.52
IP(EA), eV:	-9.32(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

Drug info:

PubChemData

Smile

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations