Geometry & MOs

Info

ID:	61000
PubChem CID:	26704119
Reduced:	SN4O5H22C24 (1)
Stoich.:	AB4C5D22E24 (1)
Weight, g/mol:	490.076947
ΔH_f, kcal/mol:	-50.21
Dipole, Da:	6.45
IP(EA), eV:	-8.76(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(N=C(S1)NC(=O)CCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

DOS

IR

Vibrations