Geometry & MOs

Info

ID:	318757
PubChem CID:	126653047
Reduced:	ClNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	463.122022
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	4.91
IP(EA), eV:	-8.76(-0.73)
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]-2,4-dimethylpentan-1-one

Drug info:

PubChemData

Smile

CC(C)CN1C=CC(=C1C2=CC(=C(O2)C(=O)C)OC)Cl

DOS

IR

Vibrations