Geometry & MOs

Info

ID:	34803
PubChem CID:	7978952
Reduced:	NSO3C21H21 (1)
Stoich.:	ABC3D21E21 (1)
Weight, g/mol:	415.131425
ΔH_f, kcal/mol:	-83.88
Dipole, Da:	4.05
IP(EA), eV:	-9.12(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(benzylcarbamothioyl)-2-methylhydrazinyl]-3-oxopropyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC(=O)[C@@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations