Geometry & MOs

Info

ID:

340108

PubChem CID:

127262117

Reduced:

O5N6C27H38 (1)

Stoich.:

A5B6C27D38 (1)

Weight, g/mol:

683.542166

ΔHf, kcal/mol:

-122.48

Dipole, Da:

7.3

IP(EA), eV:

 -9.4(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-10-amino-2-(4-aminobutyl)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]-(8-aminooctanoyl)amino]-3-oxodecanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](CCCCN)C(=O)N)N

DOS

IR

Vibrations