Geometry & MOs

Info

ID:	27834
PubChem CID:	823785
Reduced:	OSN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	271.054611
ΔH_f, kcal/mol:	-1.78
Dipole, Da:	3.33
IP(EA), eV:	-8.64(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloropyridin-2-yl)carbamothioyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CCC(=O)NC(=S)NC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations