Geometry & MOs

Info

ID:	296536
PubChem CID:	117581983
Reduced:	SN3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	219.046633
ΔH_f, kcal/mol:	70.06
Dipole, Da:	7.5
IP(EA), eV:	-8.65(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-(5-methylfuran-2-yl)amino]-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)NC2=NC=C(S2)C#N)C)C

DOS

IR

Vibrations