Geometry & MOs

Info

ID:	64673
PubChem CID:	29203835
Reduced:	FN2S2O4H17C22 (1)
Stoich.:	AB2C2D4E17F22 (1)
Weight, g/mol:	387.107519
ΔH_f, kcal/mol:	-108.76
Dipole, Da:	5.8
IP(EA), eV:	-8.4(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[5-ethyl-6-methyl-3-(3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(S3)C=C(C=C4)F

DOS

IR

Vibrations