Geometry & MOs

Info

ID:	62935
PubChem CID:	26737692
Reduced:	FSN3O3H24C26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	491.167891
ΔH_f, kcal/mol:	-79.43
Dipole, Da:	5.5
IP(EA), eV:	-8.84(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl] N-(4-ethoxyphenyl)-N'-(2-phenylethyl)carbamimidothioate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=NCCC2=CC=CC=C2)S[C@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations