Geometry & MOs

Info

ID:	194518
PubChem CID:	78548042
Reduced:	N2O7C21H24 (1)
Stoich.:	A2B7C21D24 (1)
Weight, g/mol:	363.069592
ΔH_f, kcal/mol:	-252.62
Dipole, Da:	4.56
IP(EA), eV:	-7.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C(C2=CC=CC=C2)O)OCC

DOS

IR

Vibrations