Geometry & MOs

Info

ID:

219561

PubChem CID:

85149191

Reduced:

N3O7H31C32 (1)

Stoich.:

A3B7C31D32 (1)

Weight, g/mol:

569.292343

ΔHf, kcal/mol:

-142.26

Dipole, Da:

5.97

IP(EA), eV:

 -8.55(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-2-[3-[(4-methoxyphenyl)sulfonylamino]cyclopentyl]-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(CC2(C(C1)C3C4C(C2N5C3=NC6=CC(=C(C=C6C5=O)OC)OC)C(=O)N(C4=O)C7=CC=CC=C7)C(=O)OC)C

DOS

IR

Vibrations