Geometry & MOs

Info

ID:	131965
PubChem CID:	51284525
Reduced:	ClS2N3O3H14C16 (1)
Stoich.:	AB2C3D3E14F16 (1)
Weight, g/mol:	394.109962
ΔH_f, kcal/mol:	-45.5
Dipole, Da:	6.63
IP(EA), eV:	-9.16(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCNS(=O)(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations