Geometry & MOs

Info

ID:	67887
PubChem CID:	46507369
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	475.086974
ΔH_f, kcal/mol:	-138.49
Dipole, Da:	2.16
IP(EA), eV:	-9.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC(=O)NC4CCCC4

DOS

IR

Vibrations