Geometry & MOs

Info

ID:

167049

PubChem CID:

74772358

Reduced:

SO3N7C24H25 (1)

Stoich.:

AB3C7D24E25 (1)

Weight, g/mol:

477.262757

ΔHf, kcal/mol:

24.87

Dipole, Da:

3.92

IP(EA), eV:

 -8.52(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)N)CSC2=NC(=CC3=CC=C(C=C3)OC)C(=O)N2C4=CC(=CC=C4)OC

DOS

IR

Vibrations