Geometry & MOs

Info

ID:	67883
PubChem CID:	46507362
Reduced:	N2O2F3H13C18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	501.147075
ΔH_f, kcal/mol:	-178.37
Dipole, Da:	7.07
IP(EA), eV:	-8.99(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C=C2NC3=CC=CC(=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations