Geometry & MOs

Info

ID:	131967
PubChem CID:	51284527
Reduced:	SN2O2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	380.094312
ΔH_f, kcal/mol:	-28.6
Dipole, Da:	3.07
IP(EA), eV:	-9.04(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxoquinazolin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCC3=CC=CC=C3O

DOS

IR

Vibrations