Geometry & MOs

Info

ID:	397612
PubChem CID:	135030469
Reduced:	NSO4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	422.057954
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	4.77
IP(EA), eV:	-9.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(trifluoromethylsulfonyloxy)-3-trimethylsilylphenyl] 1-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=C(C(=CC=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations