Geometry & MOs

Info

ID:

336596

PubChem CID:

127255603

Reduced:

O4N5C35H48 (2)

Stoich.:

A4B5C35D48 (2)

Weight, g/mol:

950.558287

ΔHf, kcal/mol:

-236.28

Dipole, Da:

5.7

IP(EA), eV:

 -8.26(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide;sulfuric acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C3=CC=CC=C3)C4=CC=C(C=C4)CCCCCCC5=CC=C(C=C5)C(C6=CC=CC=C6)[C@@H](C(=O)N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8CCCCC8)NC(=O)[C@H](C)NC)C(=O)N)NC

DOS

IR

Vibrations