Geometry & MOs

Info

ID:	140480
PubChem CID:	52706344
Reduced:	FS2N3O3H16C21 (1)
Stoich.:	AB2C3D3E16F21 (1)
Weight, g/mol:	389.139386
ΔH_f, kcal/mol:	-66.61
Dipole, Da:	6.18
IP(EA), eV:	-8.95(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)OC2=CC=C(C=C2)NC(=O)CSCC3=CC(=O)N4C=CSC4=N3

DOS

IR

Vibrations