Geometry & MOs

Info

ID:	383665
PubChem CID:	134975519
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	315.929861
ΔH_f, kcal/mol:	-27.49
Dipole, Da:	5.95
IP(EA), eV:	-8.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,4-dichlorophenyl)methylsulfanyl]-3-oxo-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CN2)C(=O)CC(C)C

DOS

IR

Vibrations