Geometry & MOs

Info

ID:	160408
PubChem CID:	57309756
Reduced:	ClNSO3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	216.060886
ΔH_f, kcal/mol:	-79.36
Dipole, Da:	6.39
IP(EA), eV:	-8.87(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-thiophen-2-ylprop-1-enyl)phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=CC(=C(C=C2)Cl)S(=O)(=O)O

DOS

IR

Vibrations