Geometry & MOs

Info

ID:	318918
PubChem CID:	126653722
Reduced:	SO3C18H22 (1)
Stoich.:	AB3C18D22 (1)
Weight, g/mol:	450.19032
ΔH_f, kcal/mol:	-101.62
Dipole, Da:	2.74
IP(EA), eV:	-8.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[5-(4-nitro-3-phenoxyphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCSC1=CC=C(C=C1)C2CC=C(C2=O)OC(=O)C

DOS

IR

Vibrations