Geometry & MOs

Info

ID:	165760
PubChem CID:	74593725
Reduced:	O3C10H10 (2)
Stoich.:	A3B10C10 (2)
Weight, g/mol:	386.120132
ΔH_f, kcal/mol:	-190.37
Dipole, Da:	5.77
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[2-(2-methylanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]indol-1-yl]propanenitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C=CC(=O)OCCOC(=O)C2=CC=CC=C2)OC

DOS

IR

Vibrations