Geometry & MOs

Info

ID:	60556
PubChem CID:	26697186
Reduced:	SN2O3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-72.86
Dipole, Da:	5.99
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations