Geometry & MOs

Info

ID:	63763
PubChem CID:	26759138
Reduced:	NSO3C10H12 (2)
Stoich.:	ABC3D10E12 (2)
Weight, g/mol:	377.085242
ΔH_f, kcal/mol:	-203.95
Dipole, Da:	9.16
IP(EA), eV:	-9.45(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

DOS

IR

Vibrations