Geometry & MOs

Info

ID:	33379
PubChem CID:	7886146
Reduced:	SF2O2N3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	374.058127
ΔH_f, kcal/mol:	-121.68
Dipole, Da:	1.97
IP(EA), eV:	-8.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylsulfanylethylsulfanyl)-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)F)F)NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations