Geometry & MOs

Info

ID:	426087
PubChem CID:	135136569
Reduced:	NSO2F3C10H10 (1)
Stoich.:	ABC2D3E10F10 (1)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	-222.73
Dipole, Da:	7.29
IP(EA), eV:	-10.16(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-ethyl-1,2-dihydrotriazol-5-yl)methoxy]-3-[3-(hydroxymethyl)-4-methylphenyl]-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)NC1

DOS

IR

Vibrations