Geometry & MOs

Info

ID:	417339
PubChem CID:	135092436
Reduced:	SO2N5C15H19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	395.106846
ΔH_f, kcal/mol:	-9.03
Dipole, Da:	5.54
IP(EA), eV:	-8.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2,4-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CN1C=NN=C1SCC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=CC=N3

DOS

IR

Vibrations