Geometry & MOs

Info

ID:	167715
PubChem CID:	74861742
Reduced:	SN2O5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	399.082367
ΔH_f, kcal/mol:	-126.24
Dipole, Da:	7.51
IP(EA), eV:	-8.6(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C=CC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations