Geometry & MOs

Info

ID:	175155
PubChem CID:	75862564
Reduced:	OSN3C18H30 (1)
Stoich.:	ABC3D18E30 (1)
Weight, g/mol:	457.065867
ΔH_f, kcal/mol:	-36.67
Dipole, Da:	5.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756008
Charge, e:	-1

Chem-info

IUPAC name:

[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-(2-hydroxycyclohexyl)sulfonylazanide

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CNC(=O)NC2=CC(=CC=C2)SC)[NH+](C)C

DOS

IR

Vibrations