Geometry & MOs

Info

ID:	131962
PubChem CID:	51284522
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	366.078662
ΔH_f, kcal/mol:	-23.58
Dipole, Da:	3.47
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC(=O)NC2=NC3=CC=CC=C3S2)O

DOS

IR

Vibrations