Geometry & MOs

Info

ID:	49543
PubChem CID:	11533211
Reduced:	ClN2S2O4H19C20 (1)
Stoich.:	AB2C2D4E19F20 (1)
Weight, g/mol:	486.02826
ΔH_f, kcal/mol:	-107.17
Dipole, Da:	0.97
IP(EA), eV:	-9.15(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S)-2-[(4-bromophenyl)sulfonylamino]cyclohexyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=C(C=C1)OC2=CC(=C(C=C2)CC3C(=O)NC(=S)S3)Cl)N

DOS

IR

Vibrations