Geometry & MOs

Info

ID:	16339
PubChem CID:	464854
Reduced:	ClSN2O4C14H15 (1)
Stoich.:	ABC2D4E14F15 (1)
Weight, g/mol:	342.044106
ΔH_f, kcal/mol:	-137.57
Dipole, Da:	5.14
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N

DOS

IR

Vibrations