Geometry & MOs

Info

ID:	233351
PubChem CID:	89850667
Reduced:	O4C15H26 (1)
Stoich.:	A4B15C26 (1)
Weight, g/mol:	451.11067
ΔH_f, kcal/mol:	-219.18
Dipole, Da:	3.64
IP(EA), eV:	-10.41(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C(C1)O[C@H]2[C@@H]([C@@H](C(=O)O2)O)C)C(C)C

DOS

IR

Vibrations