Geometry & MOs

Info

ID:	80708
PubChem CID:	49835995
Reduced:	SF3N3O5C29H30 (1)
Stoich.:	AB3C3D5E29F30 (1)
Weight, g/mol:	422.210661
ΔH_f, kcal/mol:	-274.73
Dipole, Da:	14.25
IP(EA), eV:	-9.05(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-amino-5-methyl-2-[3-(3-prop-1-ynylphenyl)phenyl]imidazol-2-yl]-1-ethyl-3-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C1=CC=CC=C1C2=CC(=CC=C2)OCCCN(C)C)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

DOS

IR

Vibrations