Geometry & MOs

Info

ID:	342742
PubChem CID:	127265905
Reduced:	O2S2N3H11C14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	335.084081
ΔH_f, kcal/mol:	35.55
Dipole, Da:	3.77
IP(EA), eV:	-9.11(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-5-[2-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]ethenyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CNC(=O)C1=CN=C(S1)C=CC2=CN=C(S2)C3=CC=CO3

DOS

IR

Vibrations