Geometry & MOs

Info

ID:

223041

PubChem CID:

85334166

Reduced:

O11N13C47H85 (1)

Stoich.:

A11B13C47D85 (1)

Weight, g/mol:

1013.612096

ΔHf, kcal/mol:

-579.9

Dipole, Da:

7.58

IP(EA), eV:

 -9.37(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(C(C)CC)C(=O)N(C)C(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC(=O)C(C(C)C)NC(=O)CNC(=O)CN(C)C(=O)C

DOS

IR

Vibrations