Geometry & MOs

Info

ID:	16712
PubChem CID:	475672
Reduced:	ClSN2O3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	300.033541
ΔH_f, kcal/mol:	-95.35
Dipole, Da:	5.78
IP(EA), eV:	-9.13(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-amino-5-chlorophenyl)sulfonylpyrrol-3-yl]ethanol

Drug info:

PubChemData

Smile

CC(C1=CN(C=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)N)O

DOS

IR

Vibrations