Geometry & MOs

Info

ID:	301864
PubChem CID:	123098471
Reduced:	ClSN2O5C22H27 (1)
Stoich.:	ABC2D5E22F27 (1)
Weight, g/mol:	317.048857
ΔH_f, kcal/mol:	-173.0
Dipole, Da:	4.61
IP(EA), eV:	-8.04(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfinylbutanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CCNC(=O)CS(=O)CC(=O)NC2=CC=C(C=C2)Cl)OCC

DOS

IR

Vibrations