Geometry & MOs

Info

ID:	233972
PubChem CID:	92297452
Reduced:	ClON2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	338.121962
ΔH_f, kcal/mol:	-5.19
Dipole, Da:	4.62
IP(EA), eV:	-9.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[(1S,5S)-3,3,5-trimethylcyclohexyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN1C(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations