Geometry & MOs

Info

ID:	133027
PubChem CID:	51464860
Reduced:	SO2F4N4H20C22 (1)
Stoich.:	AB2C4D4E20F22 (1)
Weight, g/mol:	509.231456
ΔH_f, kcal/mol:	-178.48
Dipole, Da:	11.33
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2S)-3-(4,5-diphenylimidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C(=C(C=C1)F)F)F)SC2=NN=C(N2C[C@@H]3CCCO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations