Geometry & MOs

Info

ID:	417881
PubChem CID:	135102959
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	349.155705
ΔH_f, kcal/mol:	-84.18
Dipole, Da:	4.12
IP(EA), eV:	-9.39(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N[C@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations