Geometry & MOs

Info

ID:

180352

PubChem CID:

76620159

Reduced:

N13O18C56H87 (1)

Stoich.:

A13B18C56D87 (1)

Weight, g/mol:

1290.566778

ΔHf, kcal/mol:

-832.09

Dipole, Da:

5.32

IP(EA), eV:

 -9.46(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl) 3-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxy-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CO)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(C(C1=CC=CC=C1)NC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations