Geometry & MOs

Info

ID:

326587

PubChem CID:

126687831

Reduced:

N7O13C56H85 (1)

Stoich.:

A7B13C56D85 (1)

Weight, g/mol:

242.163043

ΔHf, kcal/mol:

-642.78

Dipole, Da:

8.05

IP(EA), eV:

 -8.49(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylpropyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@H](C)C(=O)NCC(=O)N(C)[C@@H](C1=CC(=C(C=C1)O)C2=C(C=CC(=C2)C[C@H](C)C(=O)N[C@@H](C)C(=O)N3CCCC3C(=O)O)O)C(=O)N[C@@H](C)C(=O)C

DOS

IR

Vibrations