Geometry & MOs

Info

ID:

222869

PubChem CID:

85332821

Reduced:

SN4O7C27H44 (1)

Stoich.:

AB4C7D27E44 (1)

Weight, g/mol:

568.330108

ΔHf, kcal/mol:

-316.48

Dipole, Da:

6.89

IP(EA), eV:

 -9.67(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl]-N-tert-butyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCC(CC(=O)O)C(=O)NC(C1=CC=CC=C1)C(=O)NCCNS(=O)(=O)N2CCOCC2

DOS

IR

Vibrations