Geometry & MOs

Info

ID:	244097
PubChem CID:	99313644
Reduced:	N4O5C19H20 (1)
Stoich.:	A4B5C19D20 (1)
Weight, g/mol:	441.099457
ΔH_f, kcal/mol:	-149.64
Dipole, Da:	4.02
IP(EA), eV:	-8.45(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-oxo-1H-pyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3=CC=CNC3=O)OC

DOS

IR

Vibrations