Geometry & MOs

Info

ID:	33627
PubChem CID:	7887272
Reduced:	FSN2O4H13C18 (1)
Stoich.:	ABC2D4E13F18 (1)
Weight, g/mol:	364.051562
ΔH_f, kcal/mol:	-116.28
Dipole, Da:	1.64
IP(EA), eV:	-8.91(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,4-difluorophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations