Geometry & MOs

Info

ID:	227203
PubChem CID:	87560565
Reduced:	ClFSO2N4C22H24 (1)
Stoich.:	ABCD2E4F22G24 (1)
Weight, g/mol:	180.960042
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	5.71
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1H-pyrrole-3-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)N2C(=CC(=N2)CC(C(C)(C)C)NC(=O)O)SC3=CN=C(C=C3)Cl

DOS

IR

Vibrations