Geometry & MOs

Info

ID:	322681
PubChem CID:	126670804
Reduced:	FIO2N3C24H27 (1)
Stoich.:	ABC2D3E24F27 (1)
Weight, g/mol:	549.12885
ΔH_f, kcal/mol:	-77.76
Dipole, Da:	5.17
IP(EA), eV:	-8.97(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[5-[3-fluoro-4-iodo-5-(4-methylphenyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(N1CCC[C@H]1C2=NC=C(N2)C3=CC(=C(C(=C3)F)I)C4=CC=CC=C4)O

DOS

IR

Vibrations