Geometry & MOs

Info

ID:

445937

PubChem CID:

135269975

Reduced:

O3N5C25H35 (1)

Stoich.:

A3B5C25D35 (1)

Weight, g/mol:

543.211567

ΔHf, kcal/mol:

-39.53

Dipole, Da:

4.54

IP(EA), eV:

 -8.8(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,4E)-5-[2-[6-[2-(difluoromethyl)-4-propan-2-ylsulfonylphenyl]-3-methylpyrazin-2-yl]-3-methyl-2H-1,3,4-oxadiazol-5-yl]-N,2-dimethylhepta-2,4-dien-6-yn-1-amine

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=CC(=C2)CN3CCOCC3)C)CC4=CN=C(C=C4)C(=O)NO

DOS

IR

Vibrations