Geometry & MOs

Info

ID:	62934
PubChem CID:	26737691
Reduced:	ClSN3O3H24C26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	477.152241
ΔH_f, kcal/mol:	-38.27
Dipole, Da:	1.78
IP(EA), eV:	-8.7(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)SC(=NCCC3=CC=CC=C3)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations