Geometry & MOs

Info

ID:	422606
PubChem CID:	135118123
Reduced:	S2N4O4C11H18 (1)
Stoich.:	A2B4C4D11E18 (1)
Weight, g/mol:	297.104418
ΔH_f, kcal/mol:	-131.84
Dipole, Da:	6.22
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CN=C(S2)N

DOS

IR

Vibrations