Geometry & MOs

Info

ID:

180911

PubChem CID:

76703023

Reduced:

N8O11C76H106 (1)

Stoich.:

A8B11C76D106 (1)

Weight, g/mol:

540.240641

ΔHf, kcal/mol:

-477.06

Dipole, Da:

7.79

IP(EA), eV:

 -8.9(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[2-cyclohexyl-2-(2-methylbutanoylamino)acetyl]pyrrolidine-2-carbonyl]amino]-4-phenyl-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC(C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NCCCOCCOCCOCCCNC(=O)C(C(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)C7CCCN7C(=O)C(CC(=O)C(C)NC)C8CCCCC8

DOS

IR

Vibrations