Geometry & MOs

Info

ID:

445362

PubChem CID:

135266496

Reduced:

OS2F4N9C50H59 (1)

Stoich.:

AB2C4D9E50F59 (1)

Weight, g/mol:

406.242042

ΔHf, kcal/mol:

-105.51

Dipole, Da:

9.5

IP(EA), eV:

 -7.72(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(ethenylamino)-5-[5-(4-fluorophenyl)-1,2-dimethyl-4-(3-methylphenyl)pyrrol-3-yl]pentan-3-ol

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1C)C2=CC=C(C=C2)F)C3=CC(=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)NNC6CCC(C(=C6)SC(F)(F)F)NSC7=CC=CC=C7)C(=O)NCCCN8CCN(CC8)C

DOS

IR

Vibrations