Geometry & MOs

Info

ID:	418293
PubChem CID:	135104083
Reduced:	NSO5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	359.125689
ΔH_f, kcal/mol:	-200.72
Dipole, Da:	11.82
IP(EA), eV:	-9.92(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[C@H]([C@@](C2)(CC3CC3)C(=O)O)O)C

DOS

IR

Vibrations