Geometry & MOs

Info

ID:	416060
PubChem CID:	135089065
Reduced:	SN2F3O5C18H21 (1)
Stoich.:	AB2C3D5E18F21 (1)
Weight, g/mol:	321.124405
ΔH_f, kcal/mol:	-281.5
Dipole, Da:	4.39
IP(EA), eV:	-9.72(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=CC=C(O3)C4=NOC(=C4)C(F)(F)F)O

DOS

IR

Vibrations