Geometry & MOs

Info

ID:	419391
PubChem CID:	135108108
Reduced:	SN3O5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-177.59
Dipole, Da:	4.74
IP(EA), eV:	-8.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)O4)C)CO

DOS

IR

Vibrations