Geometry & MOs

Info

ID:

179204

PubChem CID:

76450986

Reduced:

O25N28C96H150 (1)

Stoich.:

A25B28C96D150 (1)

Weight, g/mol:

528.307361

ΔHf, kcal/mol:

-723.56

Dipole, Da:

53.34

IP(EA), eV:

 -8.22(-1.99)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;(6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CC(CN2C1=O)O)CC3=CC=CC=C3)CCCNC(=N)N)CC4=CNC5=CC=CC=C54)C(=O)N)NC(=O)C(CNC(=O)CN(CC(=O)O)CC(=O)O)NC(=O)C(CC6=CN=CN6)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCC7NNNN7

DOS

IR

Vibrations