Geometry & MOs

Info

ID:

215020

PubChem CID:

85084006

Reduced:

O2N5C42H61 (1)

Stoich.:

A2B5C42D61 (1)

Weight, g/mol:

668.385725

ΔHf, kcal/mol:

-49.4

Dipole, Da:

9.77

IP(EA), eV:

 -8.31(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(CCCCCCCCCN1CCC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)C4CCN(CC4)CC5=C(C=CN=C5)OC

DOS

IR

Vibrations