Geometry & MOs

Info

ID:

215233

PubChem CID:

85084406

Reduced:

N8O10C37H52 (1)

Stoich.:

A8B10C37D52 (1)

Weight, g/mol:

768.38298

ΔHf, kcal/mol:

-449.23

Dipole, Da:

3.42

IP(EA), eV:

 -9.24(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-3-dihydroxyphosphinothioyloxybutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations