Geometry & MOs

Info

ID:

340026

PubChem CID:

127262035

Reduced:

N5O5C23H27 (1)

Stoich.:

A5B5C23D27 (1)

Weight, g/mol:

469.268905

ΔHf, kcal/mol:

-97.3

Dipole, Da:

3.8

IP(EA), eV:

 -9.55(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-6-amino-1-[[(2S)-1-amino-1-oxopropan-2-yl]-(4-methoxynaphthalen-2-yl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)N

DOS

IR

Vibrations