Geometry & MOs

Info

ID:	159572
PubChem CID:	57288472
Reduced:	OC7H10 (4)
Stoich.:	AB7C10 (4)
Weight, g/mol:	620.065413
ΔH_f, kcal/mol:	-220.16
Dipole, Da:	4.85
IP(EA), eV:	-9.18(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2,5-difluorophenyl)-N-[[2-[3-(2-nitrophenyl)sulfinylpropoxy]phenyl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C(=CC(=C4)O)C(C5CCCCCCC5)C(=O)O

DOS

IR

Vibrations