Geometry & MOs

Info

ID:

190051

PubChem CID:

77945207

Reduced:

SN5O7C36H37 (1)

Stoich.:

AB5C7D36E37 (1)

Weight, g/mol:

779.194725

ΔHf, kcal/mol:

-225.97

Dipole, Da:

1.63

IP(EA), eV:

 -9.05(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-11-[(2,4-dichlorophenyl)methyl]-8-(2,3-dihydrothiophen-2-ylmethyl)-3,6,9,12,15-pentaoxo-2,7,10,13,16-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-17-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)NC2=CC=C(CC(NC(=O)CNC(=O)C(NC(=O)C(NC1=O)C3CC=CS3)CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O)C=C2

DOS

IR

Vibrations