Geometry & MOs

Info

ID:

164414

PubChem CID:

74397088

Reduced:

O29C48H72 (1)

Stoich.:

A29B48C72 (1)

Weight, g/mol:

629.270646

ΔHf, kcal/mol:

-1247.9

Dipole, Da:

8.76

IP(EA), eV:

 -8.9(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-octadec-9-enylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CC4C(C(C3OC)OC)C(=O)C(=CO4)C5=CC=C(C=C5)OC)O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations