Geometry & MOs

Info

ID:	430615
PubChem CID:	135170681
Reduced:	ClNO3C4H4 (1)
Stoich.:	ABC3D4E4 (1)
Weight, g/mol:	739.167159
ΔH_f, kcal/mol:	-76.32
Dipole, Da:	1.73
IP(EA), eV:	-10.4(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-[4-ethyl-3-hydroxy-5-[5-[3-(6-methoxypyridin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]pyridin-3-yl]phenyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=C(C(N(C1=O)O)O)Cl

DOS

IR

Vibrations