Geometry & MOs

Info

ID:	121290
PubChem CID:	50762077
Reduced:	SO2N5H13C17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	428.105545
ΔH_f, kcal/mol:	34.46
Dipole, Da:	4.06
IP(EA), eV:	-8.94(-1.45)
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-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)NC2=NN3C(=O)C4=CC=CC=C4N=C3S2

DOS

IR

Vibrations