Geometry & MOs

Info

ID:	134690
PubChem CID:	51739429
Reduced:	ClN2O2C22H31 (1)
Stoich.:	AB2C2D22E31 (1)
Weight, g/mol:	502.169306
ΔH_f, kcal/mol:	-100.49
Dipole, Da:	7.79
IP(EA), eV:	-9.26(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-cyclohexyl-N-[(Z,2S)-1-[(4-methylphenyl)sulfonylmethylamino]-1-oxopent-3-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C/C=C/[C@H](C(=O)NC(C)(C)C)N(C1CCCCC1)C(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations