Geometry & MOs

Info

ID:	273680
PubChem CID:	103771719
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	341.004405
ΔH_f, kcal/mol:	-89.26
Dipole, Da:	4.36
IP(EA), eV:	-8.9(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)NCC(C2=CSC=C2)O

DOS

IR

Vibrations