Geometry & MOs

Info

ID:	227027
PubChem CID:	87559745
Reduced:	ClFSO2N4C22H24 (1)
Stoich.:	ABCD2E4F22G24 (1)
Weight, g/mol:	164.050715
ΔH_f, kcal/mol:	-71.19
Dipole, Da:	7.64
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpent-4-ene-2-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)N2C(=CC(=N2)CC(C(C)(C)C)NC(=O)O)SC3=CN=C(C=C3)Cl

DOS

IR

Vibrations