Geometry & MOs

Info

ID:	242954
PubChem CID:	99214445
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	471.182792
ΔH_f, kcal/mol:	-102.19
Dipole, Da:	9.18
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-2-ethoxyphenyl)-4-methoxy-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C#N)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)OC

DOS

IR

Vibrations