Geometry & MOs

Info

ID:	317879
PubChem CID:	126646799
Reduced:	N5O5C31H31 (1)
Stoich.:	A5B5C31D31 (1)
Weight, g/mol:	447.02662
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	3.84
IP(EA), eV:	-9.38(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-iodo-3-phenylsulfanylphenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC(=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C5=CC=CC=C5)NC(=O)O

DOS

IR

Vibrations