Geometry & MOs

Info

ID:	342491
PubChem CID:	127265646
Reduced:	OSN4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	335.072848
ΔH_f, kcal/mol:	66.86
Dipole, Da:	4.37
IP(EA), eV:	-8.93(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(=CC1=CN=C(N1)C2=CC=CC=C2)C3=NC4=C(C=CS4)C(=O)N3

DOS

IR

Vibrations