Geometry & MOs

Info

ID:

223250

PubChem CID:

85334748

Reduced:

N12O25C60H86 (1)

Stoich.:

A12B25C60D86 (1)

Weight, g/mol:

1374.734295

ΔHf, kcal/mol:

-1172.09

Dipole, Da:

5.81

IP(EA), eV:

 -9.84(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[1-[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-3-naphthalen-2-ylpropanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CCC(=O)O)N)C(=O)NC(CCC(=O)O)C(=O)N2CCCC2C(=O)NC(CCC(=O)O)C(=O)N3CCCC3C(=O)NC(CCC(=O)O)C(=O)N4CCCC4C(=O)NC(CCC(=O)O)C(=O)N5CCCC5C(=O)NC(CCC(=O)O)C(=O)N6CCCC6C(=O)O

DOS

IR

Vibrations