Geometry & MOs

Info

ID:	393637
PubChem CID:	135021326
Reduced:	NO5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	417.00343
ΔH_f, kcal/mol:	-259.2
Dipole, Da:	2.74
IP(EA), eV:	-9.83(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-3-methylphenyl)-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCC(=O)[C@H]1NC(=O)OC(C)(C)C

DOS

IR

Vibrations