Geometry & MOs

Info

ID:	185939
PubChem CID:	77371426
Reduced:	FN3O4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	320.100836
ΔH_f, kcal/mol:	-141.36
Dipole, Da:	9.28
IP(EA), eV:	-8.6(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-benzyl-3-(2,5-dioxopyrrolidin-1-yl)butanedioic acid

Drug info:

PubChemData

Smile

CC1=C2CN(CC2C(CC1)NC)C3=C(C=C4C(=C3)N(C=C(C4=O)OC(=O)O)C5CC5)F

DOS

IR

Vibrations