Geometry & MOs

Info

ID:

170381

PubChem CID:

75225388

Reduced:

O10N12C35H60 (1)

Stoich.:

A10B12C35D60 (1)

Weight, g/mol:

808.455536

ΔHf, kcal/mol:

-492.37

Dipole, Da:

11.6

IP(EA), eV:

 -9.06(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[[2-[[2-[[2-[(2-acetamido-4-hydroxybutanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(C(C)O)NC(=O)C

DOS

IR

Vibrations