Geometry & MOs

Info

ID:	65212
PubChem CID:	29204622
Reduced:	SCl2N3O5C19H19 (1)
Stoich.:	AB2C3D5E19F19 (1)
Weight, g/mol:	471.042247
ΔH_f, kcal/mol:	-167.45
Dipole, Da:	5.87
IP(EA), eV:	-9.5(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-4-methylsulfonyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@H](C(=O)NNC(=O)C1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations