Geometry & MOs

Info

ID:	68914
PubChem CID:	46511795
Reduced:	SF2N2O4C24H30 (1)
Stoich.:	AB2C2D4E24F30 (1)
Weight, g/mol:	415.099063
ΔH_f, kcal/mol:	-232.04
Dipole, Da:	3.35
IP(EA), eV:	-9.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-cyanophenyl)phenyl]methyl 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1CCCCC1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N(C)C(C)C3=CC(=C(C=C3)F)F)OC

DOS

IR

Vibrations