Geometry & MOs

Info

ID:	61745
PubChem CID:	26712442
Reduced:	SN2O6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	406.119858
ΔH_f, kcal/mol:	-153.23
Dipole, Da:	7.24
IP(EA), eV:	-8.55(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations