Geometry & MOs

Info

ID:	318919
PubChem CID:	126653736
Reduced:	N4O5C24H26 (1)
Stoich.:	A4B5C24D26 (1)
Weight, g/mol:	529.12262
ΔH_f, kcal/mol:	-78.71
Dipole, Da:	9.42
IP(EA), eV:	-9.23(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[5-(4-iodo-3-phenoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC(=C(C=C3)[N+](=O)[O-])OC4=CC=CC=C4

DOS

IR

Vibrations