Geometry & MOs

Info

ID:	62933
PubChem CID:	26737686
Reduced:	NO4H25C28 (1)
Stoich.:	AB4C25D28 (1)
Weight, g/mol:	493.12269
ΔH_f, kcal/mol:	-97.9
Dipole, Da:	2.89
IP(EA), eV:	-8.44(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)[C@@H](C)O

DOS

IR

Vibrations