Geometry & MOs

Info

ID:	200300
PubChem CID:	79376421
Reduced:	SN4C12H12 (1)
Stoich.:	AB4C12D12 (1)
Weight, g/mol:	223.114319
ΔH_f, kcal/mol:	83.38
Dipole, Da:	5.2
IP(EA), eV:	-9.13(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(2-methylpentan-3-ylamino)-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNC2=C(C(=NS2)C)C#N

DOS

IR

Vibrations