Geometry & MOs

Info

ID:	65214
PubChem CID:	29204624
Reduced:	ClSN3O6C20H22 (1)
Stoich.:	ABC3D6E20F22 (1)
Weight, g/mol:	467.091784
ΔH_f, kcal/mol:	-195.46
Dipole, Da:	7.31
IP(EA), eV:	-9.45(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[2-(4-chlorobenzoyl)hydrazinyl]-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)NNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations