Geometry & MOs

Info

ID:

215434

PubChem CID:

85084728

Reduced:

N9O11C45H67 (1)

Stoich.:

A9B11C45D67 (1)

Weight, g/mol:

911.417754

ΔHf, kcal/mol:

-525.18

Dipole, Da:

9.71

IP(EA), eV:

 -9.25(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) 1-[2-[[1-[2-[[1-[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C

DOS

IR

Vibrations