Geometry & MOs

Info

ID:	148873
PubChem CID:	53788543
Reduced:	SN3O9H19C22 (1)
Stoich.:	AB3C9D19E22 (1)
Weight, g/mol:	256.017018
ΔH_f, kcal/mol:	-182.69
Dipole, Da:	6.7
IP(EA), eV:	-9.24(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)ethanol

Drug info:

PubChemData

Smile

C1C(=O)C(N2[C@@H]([S@]1=O)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations