Geometry & MOs

Info

ID:	421396
PubChem CID:	135115914
Reduced:	S2N3O4C13H21 (1)
Stoich.:	A2B3C4D13E21 (1)
Weight, g/mol:	339.134969
ΔH_f, kcal/mol:	-149.53
Dipole, Da:	3.81
IP(EA), eV:	-9.61(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4,5-dimethoxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations