Geometry & MOs

Info

ID:	60560
PubChem CID:	26697191
Reduced:	Cl2N2S2O3C19H22 (1)
Stoich.:	A2B2C2D3E19F22 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-99.26
Dipole, Da:	3.43
IP(EA), eV:	-8.53(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations