Geometry & MOs

Info

ID:

215352

PubChem CID:

85084583

Reduced:

N7O14C38H49 (1)

Stoich.:

A7B14C38D49 (1)

Weight, g/mol:

827.381368

ΔHf, kcal/mol:

-538.29

Dipole, Da:

4.55

IP(EA), eV:

 -9.63(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-4-[[2-[[1-[2-[2-[[2-[(2-aminophenyl)methylamino]-3-methylpentanoyl]amino]propanoylamino]propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-(4-hydroxy-3-nitrophenyl)propanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NNC(=O)C1C(O1)C(=O)NCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations