Geometry & MOs

Info

ID:

121250

PubChem CID:

50760244

Reduced:

SN3O4C29H35 (1)

Stoich.:

AB3C4D29E35 (1)

Weight, g/mol:

494.198777

ΔHf, kcal/mol:

-88.22

Dipole, Da:

5.72

IP(EA), eV:

 -9.15(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCCC(C3)C(=O)N(C)CC4=CC=CC=C4)C

DOS

IR

Vibrations