Geometry & MOs

Info

ID:	148581
PubChem CID:	53788249
Reduced:	N2H5C6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	323.989089
ΔH_f, kcal/mol:	114.28
Dipole, Da:	4.19
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenyl)-2-(3-methoxypyrrol-2-ylidene)-3H-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C=N2)C3=CC=NN3

DOS

IR

Vibrations