Geometry & MOs

Info

ID:	67889
PubChem CID:	46507372
Reduced:	ClSO2N5H16C23 (1)
Stoich.:	ABC2D5E16F23 (1)
Weight, g/mol:	461.071324
ΔH_f, kcal/mol:	50.08
Dipole, Da:	1.61
IP(EA), eV:	-8.9(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CC(=CC=C2)NC3=NN4C(=O)C5=CC=CC=C5N=C4S3)Cl

DOS

IR

Vibrations