Geometry & MOs

Info

ID:	193269
PubChem CID:	78366726
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	540.01359
ΔH_f, kcal/mol:	-6.49
Dipole, Da:	1.87
IP(EA), eV:	-8.56(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-chloro-2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)CSC1=NNC2N1C3CCCCC3C(=O)N2CC4=CC=CC=C4

DOS

IR

Vibrations