Geometry & MOs

Info

ID:

161564

PubChem CID:

57392008

Reduced:

SO3N8C17H18 (1)

Stoich.:

AB3C8D17E18 (1)

Weight, g/mol:

528.299951

ΔHf, kcal/mol:

-10.06

Dipole, Da:

9.49

IP(EA), eV:

 -9.31(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R)-N-cyclopropyl-4-(3-fluoro-4-methylphenyl)-4-hydroxy-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NC(=C12)N)NCCO)NC3=CC=C(C=C3)S(=O)(=O)N)C#N

DOS

IR

Vibrations