Geometry & MOs

Info

ID:

223198

PubChem CID:

85334671

Reduced:

F2N11O15C63H111 (1)

Stoich.:

A2B11C15D63E111 (1)

Weight, g/mol:

1302.681967

ΔHf, kcal/mol:

-895.89

Dipole, Da:

6.88

IP(EA), eV:

 -9.41(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)O)NC(=O)C(C(C(C)CC=CC(=O)OC(F)F)O)NC

DOS

IR

Vibrations