Geometry & MOs

Info

ID:	242917
PubChem CID:	99214213
Reduced:	FSN2O3H23C25 (1)
Stoich.:	ABC2D3E23F25 (1)
Weight, g/mol:	441.090235
ΔH_f, kcal/mol:	-112.69
Dipole, Da:	3.71
IP(EA), eV:	-9.04(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=C(S1)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O

DOS

IR

Vibrations