Geometry & MOs

Info

ID:	295306
PubChem CID:	117525946
Reduced:	NOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	222.006326
ΔH_f, kcal/mol:	13.37
Dipole, Da:	4.41
IP(EA), eV:	-9.22(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenyl)-1,3-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC2=NC(=CS2)C=O

DOS

IR

Vibrations