Geometry & MOs

Info

ID:	36539
PubChem CID:	8008127
Reduced:	SN2O5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	419.145676
ΔH_f, kcal/mol:	-167.79
Dipole, Da:	3.73
IP(EA), eV:	-8.72(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations