Geometry & MOs

Info

ID:	60368
PubChem CID:	26683926
Reduced:	NO4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	405.114713
ΔH_f, kcal/mol:	-92.8
Dipole, Da:	2.8
IP(EA), eV:	-8.8(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethylphenoxy)-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations