Geometry & MOs

Info

ID:	65186
PubChem CID:	29204585
Reduced:	ClS2N3O5C19H22 (1)
Stoich.:	AB2C3D5E19F22 (1)
Weight, g/mol:	471.068941
ΔH_f, kcal/mol:	-142.5
Dipole, Da:	5.66
IP(EA), eV:	-8.37(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[2-(4-chlorobenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1S(=O)(=O)N[C@@H](CCSC)C(=O)NNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations