Geometry & MOs

Info

ID:

215566

PubChem CID:

85084914

Reduced:

O11N14C48H88 (1)

Stoich.:

A11B14C48D88 (1)

Weight, g/mol:

1041.587219

ΔHf, kcal/mol:

-598.99

Dipole, Da:

16.49

IP(EA), eV:

 -9.06(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[6-amino-2-[[2-[[2-[[2-[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC(CCCCN)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1(CCNCC1)C(=O)O)NC(=O)C(C)(C)NC(=O)C(CCCCN)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C2(CCNCC2)N

DOS

IR

Vibrations