Geometry & MOs

Info

ID:

223259

PubChem CID:

85334758

Reduced:

SN17O17C61H107 (1)

Stoich.:

AB17C17D61E107 (1)

Weight, g/mol:

1384.746298

ΔHf, kcal/mol:

-746.08

Dipole, Da:

8.9

IP(EA), eV:

 -8.66(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-amino-2-[[2-[[2-[[2-[[2-[[3-carboxy-2-[[2-[[2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CS)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(C)N

DOS

IR

Vibrations