Geometry & MOs

Info

ID:	273676
PubChem CID:	103771680
Reduced:	N2O2S2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	325.053942
ΔH_f, kcal/mol:	-6.39
Dipole, Da:	6.39
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(C2=CSC=C2)O)SCC#N

DOS

IR

Vibrations