Geometry & MOs

Info

ID:	243959
PubChem CID:	99303026
Reduced:	ClO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	421.167142
ΔH_f, kcal/mol:	-27.6
Dipole, Da:	5.48
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[[(1R,2R)-2-methylcyclohexyl]sulfamoyl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations