Geometry & MOs

Info

ID:	34828
PubChem CID:	7978978
Reduced:	SN2O3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	390.091725
ΔH_f, kcal/mol:	-45.3
Dipole, Da:	3.33
IP(EA), eV:	-9.24(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(benzylcarbamothioyl)-2-methylhydrazinyl]-2-oxoethyl]-2-chlorobenzamide

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@H](CS2)C(=O)OCC3=CC(=CC=C3)C#N)C4=CC=CC=C4

DOS

IR

Vibrations