Geometry & MOs

Info

ID:	226599
PubChem CID:	87544330
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	387.098584
ΔH_f, kcal/mol:	-56.5
Dipole, Da:	2.2
IP(EA), eV:	-8.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(2-chloro-4,5,6-trimethylpyridin-3-yl)-1-methylpyrrol-2-yl]-3-nitrobenzene-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C2C(=C(NC2=C(C=C1)C)C(=O)NC3CCCN(C3)C)C

DOS

IR

Vibrations