Geometry & MOs

Info

ID:	121291
PubChem CID:	50762078
Reduced:	SO2N6H16C22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	428.105545
ΔH_f, kcal/mol:	69.63
Dipole, Da:	2.32
IP(EA), eV:	-8.78(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N3C(=N2)SC(=N3)NC4=CC=CC(=C4)C(=O)NCC5=CC=CC=N5

DOS

IR

Vibrations