Geometry & MOs

Info

ID:	318752
PubChem CID:	126653035
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	526.132921
ΔH_f, kcal/mol:	-82.11
Dipole, Da:	6.08
IP(EA), eV:	-8.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxyfuran-2-yl]-2-(dimethylamino)-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(O1)C2=C(C=C3N2CCCC3)Cl)OC

DOS

IR

Vibrations