Geometry & MOs

Info

ID:	273688
PubChem CID:	103771739
Reduced:	ClSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	341.004405
ΔH_f, kcal/mol:	-28.73
Dipole, Da:	2.78
IP(EA), eV:	-9.4(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Cl)C(=O)NCC(C2=CSC=C2)O

DOS

IR

Vibrations