Geometry & MOs

Info

ID:	237665
PubChem CID:	92720471
Reduced:	SF3N4O4H17C22 (1)
Stoich.:	AB3C4D4E17F22 (1)
Weight, g/mol:	455.133734
ΔH_f, kcal/mol:	-228.7
Dipole, Da:	6.3
IP(EA), eV:	-9.14(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]sulfanyl-6-phenyl-3-prop-2-enylthieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1[C@@H](N(C2=CC=CC=C2NC1=O)C(=O)COC(=O)CSC3=NC4=CC=CC=C4N=C3)C(F)(F)F

DOS

IR

Vibrations