Geometry & MOs

Info

ID:

220049

PubChem CID:

85165185

Reduced:

N2O9C36H36 (1)

Stoich.:

A2B9C36D36 (1)

Weight, g/mol:

640.373704

ΔHf, kcal/mol:

-247.94

Dipole, Da:

9.04

IP(EA), eV:

 -8.68(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[1-[[2-(cycloheptylcarbamoylamino)-4-methylpentanoyl]amino]-2-(1-methylindol-3-yl)ethyl]-5-methyl-1H-imidazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1C(C(C(=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N)C(C(=O)OC)C(=O)OC)C(C(=O)OC)C(=O)OC

DOS

IR

Vibrations