Geometry & MOs

Info

ID:	177231
PubChem CID:	76149150
Reduced:	OSCl2N3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	321.059028
ΔH_f, kcal/mol:	0.17
Dipole, Da:	2.07
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-thiophen-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=NC=CS3

DOS

IR

Vibrations