Geometry & MOs

Info

ID:	250131
PubChem CID:	103094337
Reduced:	ClON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	257.038961
ΔH_f, kcal/mol:	-33.89
Dipole, Da:	2.78
IP(EA), eV:	-9.35(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carbamothioyl-N-(3-chloropyridin-2-yl)butanamide

Drug info:

PubChemData

Smile

CCC(CC(=O)NC1=C(C=CC=N1)Cl)CN

DOS

IR

Vibrations