Geometry & MOs

Info

ID:	58553
PubChem CID:	24702300
Reduced:	O3N4C8H14 (1)
Stoich.:	A3B4C8D14 (1)
Weight, g/mol:	279.030018
ΔH_f, kcal/mol:	-98.59
Dipole, Da:	3.26
IP(EA), eV:	-9.69(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1=NO)CC(=O)NC(=O)N

DOS

IR

Vibrations