Geometry & MOs

Info

ID:	132755
PubChem CID:	51413454
Reduced:	FN3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	36.35
Dipole, Da:	1.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.872670
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-(2-hydroxyethyl)-N-phenylcarbamimidothioate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@H]2C[C@@H](NC3=[N+]2C4=CC=CC=C4N3)C5=CC=C(C=C5)F

DOS

IR

Vibrations