Geometry & MOs

Info

ID:	143843
PubChem CID:	53268331
Reduced:	BrNO3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	551.991
ΔH_f, kcal/mol:	-110.52
Dipole, Da:	2.93
IP(EA), eV:	-8.75(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC(C)C(=O)NC2=C(C=C(C=C2)C(C)(C)C)Br

DOS

IR

Vibrations