Geometry & MOs

Info

ID:

186753

PubChem CID:

77478910

Reduced:

N2O6C21H22 (1)

Stoich.:

A2B6C21D22 (1)

Weight, g/mol:

811.22265

ΔHf, kcal/mol:

-149.32

Dipole, Da:

4.23

IP(EA), eV:

 -9.2(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[4-[5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2-oxoimidazolidin-1-yl]butylamino]-2-oxoethyl]-10-(carboxymethyl)-7-methyl-1,4,7,10-tetrazacyclododecane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCOCCOC(=O)C1=CC(=CNN=CC2=CC=C(C=C2)C(=O)O)C=CC1=O

DOS

IR

Vibrations