Geometry & MOs

Info

ID:	89350
PubChem CID:	49960635
Reduced:	ClO2S2N3H10C12 (1)
Stoich.:	AB2C2D3E10F12 (1)
Weight, g/mol:	322.109962
ΔH_f, kcal/mol:	-23.83
Dipole, Da:	1.23
IP(EA), eV:	-8.96(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(acetylcarbamothioyl)hydrazinyl]-N-benzyl-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(=O)NC(=S)NNC(=O)C1=C(C2=CC=CC=C2S1)Cl

DOS

IR

Vibrations