Geometry & MOs

Info

ID:	35548
PubChem CID:	7980017
Reduced:	ClON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-10.13
Dipole, Da:	1.28
IP(EA), eV:	-9.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[2-(4-tert-butylbenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC(=CC=C2)Cl)/C#N

DOS

IR

Vibrations