Geometry & MOs

Info

ID:

223164

PubChem CID:

85334618

Reduced:

N15O23C50H79 (1)

Stoich.:

A15B23C50D79 (1)

Weight, g/mol:

1261.775808

ΔHf, kcal/mol:

-1069.72

Dipole, Da:

12.7

IP(EA), eV:

 -9.38(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[2-[[6-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]hexanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)CNC(=O)C(CO)N

DOS

IR

Vibrations