Geometry & MOs

Info

ID:

224132

PubChem CID:

85338559

Reduced:

ClN2O9C36H41 (1)

Stoich.:

AB2C9D36E41 (1)

Weight, g/mol:

683.421776

ΔHf, kcal/mol:

-342.49

Dipole, Da:

12.15

IP(EA), eV:

 -8.75(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[1-(2-amino-3-hydroxypropanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)O)NC(=O)CC2C(=O)N(C3=C(C=C(C=C3)Cl)C(O2)C4=C(C(=CC=C4)OC)OC)CC(C)(C)COC(=O)C

DOS

IR

Vibrations