Geometry & MOs

Info

ID:	35052
PubChem CID:	7979236
Reduced:	Cl2N2O2H14C17 (1)
Stoich.:	A2B2C2D14E17 (1)
Weight, g/mol:	419.10704
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	3.21
IP(EA), eV:	-9.41(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2R)-1-[2-(4-methylbenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations