Geometry & MOs

Info

ID:	218829
PubChem CID:	85090038
Reduced:	N3O6H27C29 (1)
Stoich.:	A3B6C27D29 (1)
Weight, g/mol:	515.034257
ΔH_f, kcal/mol:	-130.95
Dipole, Da:	1.76
IP(EA), eV:	-8.8(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[2-(2,5-difluorophenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCN1C(=O)C2=CC3=NC(=O)C4=C(C=C(C=C4)C5=CC(=C(C=C5)O)OC)N=C3C=C2

DOS

IR

Vibrations