Geometry & MOs

Info

ID:	59842
PubChem CID:	24899441
Reduced:	ClSN2O3C20H25 (1)
Stoich.:	ABC2D3E20F25 (1)
Weight, g/mol:	476.156992
ΔH_f, kcal/mol:	-98.85
Dipole, Da:	4.68
IP(EA), eV:	-8.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN(C(=NC(=O)C2=C(C=CC(=C2)Cl)OC)S1)C[C@H]3CCCO3

DOS

IR

Vibrations