Geometry & MOs

Info

ID:

53928

PubChem CID:

14718401

Reduced:

O2C14H21 (2)

Stoich.:

A2B14C21 (2)

Weight, g/mol:

916.491922

ΔHf, kcal/mol:

-232.31

Dipole, Da:

7.02

IP(EA), eV:

 -9.55(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[[2-[[2-[[2-[[2-amino-4-(diaminomethylideneamino)butanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC12CCC3C(=CC(=O)C4C3(CCC5C4(CCC(C5)O)C)C)C1CC(CC2)(C)C(=O)OC

DOS

IR

Vibrations