Geometry & MOs

Info

ID:	415729
PubChem CID:	135088729
Reduced:	SF2N2O5C15H20 (1)
Stoich.:	AB2C2D5E15F20 (1)
Weight, g/mol:	349.155705
ΔH_f, kcal/mol:	-266.26
Dipole, Da:	10.58
IP(EA), eV:	-9.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N-(2-hydroxyethyl)-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=C(C(=C(C=C2)F)OC)F

DOS

IR

Vibrations