Geometry & MOs

Info

ID:	121289
PubChem CID:	50762076
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	351.078996
ΔH_f, kcal/mol:	-81.23
Dipole, Da:	3.84
IP(EA), eV:	-8.91(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=C(C(=O)OC2=CC=CC=C21)NC(=O)NCC3=CC=C(C=C3)C

DOS

IR

Vibrations