Geometry & MOs

Info

ID:	175700
PubChem CID:	75938864
Reduced:	O3N5H25C27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	28.78
Dipole, Da:	3.91
IP(EA), eV:	-9.0(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(butan-2-ylsulfamoyl)-N-[1-(3-ethoxyphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(C)NC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CO4)C5=CN=CC=C5

DOS

IR

Vibrations