Geometry & MOs

Info

ID:	160249
PubChem CID:	57309595
Reduced:	O8C27H36 (1)
Stoich.:	A8B27C36 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-335.37
Dipole, Da:	9.86
IP(EA), eV:	-9.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethoxymethyl)-1-ethyl-4-(3-nitrophenyl)sulfanyl-5-propan-2-ylimidazole

Drug info:

PubChemData

Smile

CCC(=O)OCC(=O)[C@@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)OC(=O)OCC

DOS

IR

Vibrations