Geometry & MOs

Info

ID:

340014

PubChem CID:

127262023

Reduced:

O4N10C35H40 (1)

Stoich.:

A4B10C35D40 (1)

Weight, g/mol:

782.42278

ΔHf, kcal/mol:

-58.07

Dipole, Da:

5.5

IP(EA), eV:

 -8.64(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[(2S)-1-[4-(acridin-9-ylamino)-N-(2-amino-2-oxoethyl)anilino]-6-amino-1-oxohexan-2-yl]amino]-6-amino-1-oxohexan-2-yl]-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)N(CC(=O)N)C(=O)[C@H](CCCCN)NC(=O)[C@H](CC5=CN=CN5)NC(=O)CN

DOS

IR

Vibrations