Geometry & MOs

Info

ID:	245431
PubChem CID:	99444697
Reduced:	OSN2C21H22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	483.219178
ΔH_f, kcal/mol:	36.87
Dipole, Da:	6.69
IP(EA), eV:	-8.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-cyanophenyl)ethyl]-N-ethyl-4-methoxy-3-[[(1S,2S)-2-methylcyclohexyl]sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CCN([C@H](C)C1=CC=C(C=C1)C#N)C(=O)/C=C/C2=CC=C(C=C2)SC

DOS

IR

Vibrations