Geometry & MOs

Info

ID:	441032
PubChem CID:	135232772
Reduced:	NOC14H16 (2)
Stoich.:	ABC14D16 (2)
Weight, g/mol:	373.098394
ΔH_f, kcal/mol:	5.46
Dipole, Da:	1.83
IP(EA), eV:	-9.07(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydropyrrole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)C2N=C(NO2)C3=CC(=CC(=C3OC)C4=CC=CC=C4C)C(C)(C)C

DOS

IR

Vibrations