Geometry & MOs

Info

ID:	250132
PubChem CID:	103094367
Reduced:	ClOSN3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	297.070261
ΔH_f, kcal/mol:	-14.43
Dipole, Da:	2.08
IP(EA), eV:	-9.11(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamothioyl-N-(3-chloropyridin-2-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=S)N)C(=O)NC1=C(C=CC=N1)Cl

DOS

IR

Vibrations