Geometry & MOs

Info

ID:	129561
PubChem CID:	51073091
Reduced:	FN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	341.065654
ΔH_f, kcal/mol:	-56.67
Dipole, Da:	4.62
IP(EA), eV:	-9.68(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-3-(4-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)F)C(=O)C2=NOC(=C2)C

DOS

IR

Vibrations