Geometry & MOs

Info

ID:	61744
PubChem CID:	26712356
Reduced:	NO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	454.119858
ΔH_f, kcal/mol:	-87.11
Dipole, Da:	2.96
IP(EA), eV:	-8.38(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=CO3)OC1

DOS

IR

Vibrations