Geometry & MOs

Info

ID:	67884
PubChem CID:	46507363
Reduced:	SO4N5H23C26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	471.100125
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	5.03
IP(EA), eV:	-8.41(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NC3=NN4C(=O)C5=CC=CC=C5N=C4S3)OC

DOS

IR

Vibrations