Geometry & MOs

Info

ID:	139117
PubChem CID:	52475603
Reduced:	ClN2S2O3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	449.131031
ΔH_f, kcal/mol:	-76.73
Dipole, Da:	3.18
IP(EA), eV:	-8.58(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CSC(=N2)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations