Geometry & MOs

Info

ID:	231743
PubChem CID:	87574549
Reduced:	SO3N4F5C20H21 (1)
Stoich.:	AB3C4D5E20F21 (1)
Weight, g/mol:	281.035794
ΔH_f, kcal/mol:	-320.82
Dipole, Da:	3.88
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 4-isocyanatosulfonyl-3-methylbenzoate

Drug info:

PubChemData

Smile

CCNC1=C(C=CC(=N1)C(F)(F)F)/C=C/C(=O)NC(C)C2=CC(=C(C(=C2)F)NS(=O)(=O)C)F

DOS

IR

Vibrations