Geometry & MOs

Info

ID:	34795
PubChem CID:	7978944
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	401.115775
ΔH_f, kcal/mol:	-139.26
Dipole, Da:	2.32
IP(EA), eV:	-9.07(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(benzylcarbamothioyl)-2-methylhydrazinyl]-2-oxoethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)COC(=O)[C@H]1CS[C@@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations