Geometry & MOs

Info

ID:	67888
PubChem CID:	46507371
Reduced:	ClSO2N5H18C24 (1)
Stoich.:	ABC2D5E18F24 (1)
Weight, g/mol:	461.071324
ΔH_f, kcal/mol:	42.5
Dipole, Da:	7.29
IP(EA), eV:	-9.04(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N3C(=N2)SC(=N3)NC4=CC=CC(=C4)C(=O)NCCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations