Geometry & MOs

Info

ID:

223934

PubChem CID:

85335796

Reduced:

SN6O7C39H50 (1)

Stoich.:

AB6C7D39E50 (1)

Weight, g/mol:

746.48834

ΔHf, kcal/mol:

-220.73

Dipole, Da:

10.76

IP(EA), eV:

 -9.1(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[1-[2-(1-adamantyl)ethyl]pyrrolidin-2-yl]methyl-(phenylcarbamoyl)amino]-6-[methyl(phenylcarbamoyl)amino]hexyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C(C)(C)C)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CSC(=N6)NC(=O)C)C(=O)O

DOS

IR

Vibrations