Geometry & MOs

Info

ID:	238866
PubChem CID:	93165633
Reduced:	BrON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	314.184172
ΔH_f, kcal/mol:	-27.83
Dipole, Da:	1.5
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[[(3R)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](CN)C2=CC=C(C=C2)Br

DOS

IR

Vibrations