Geometry & MOs

Info

ID:	67869
PubChem CID:	46507339
Reduced:	SF2N2O3H18C22 (1)
Stoich.:	AB2C2D3E18F22 (1)
Weight, g/mol:	365.064569
ΔH_f, kcal/mol:	-147.47
Dipole, Da:	4.14
IP(EA), eV:	-9.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-difluorophenyl)methyl]-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations