Geometry & MOs

Info

ID:

340032

PubChem CID:

127262041

Reduced:

FN3O7C22H30 (1)

Stoich.:

AB3C7D22E30 (1)

Weight, g/mol:

383.216869

ΔHf, kcal/mol:

-345.1

Dipole, Da:

2.86

IP(EA), eV:

 -9.62(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2R)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)N([C@H](CC(=O)OC)C(=O)CF)C(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations