Geometry & MOs

Info

ID:	65950
PubChem CID:	46484680
Reduced:	FSN3O5H14C16 (1)
Stoich.:	ABC3D5E14F16 (1)
Weight, g/mol:	492.092451
ΔH_f, kcal/mol:	-127.69
Dipole, Da:	6.45
IP(EA), eV:	-8.78(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])F

DOS

IR

Vibrations