Geometry & MOs

Info

ID:	194521
PubChem CID:	78548045
Reduced:	ClNSO4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	377.085242
ΔH_f, kcal/mol:	-141.54
Dipole, Da:	4.98
IP(EA), eV:	-8.61(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C(C)SC2=CC=C(C=C2)Cl

DOS

IR

Vibrations