Geometry & MOs

Info

ID:	234246
PubChem CID:	92298008
Reduced:	SO4N6C28H28 (1)
Stoich.:	AB4C6D28E28 (1)
Weight, g/mol:	443.03684
ΔH_f, kcal/mol:	-59.49
Dipole, Da:	7.23
IP(EA), eV:	-8.5(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,3Z)-2-(4-bromophenyl)-3-[hydroxy(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=O)[C@H](C2=CC3=C(C=C2)N=CC=C3)N(CC4=CC=CC=C4)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations