Geometry & MOs

Info

ID:	338943
PubChem CID:	127259954
Reduced:	NSF3O5H8C18 (1)
Stoich.:	ABC3D5E8F18 (1)
Weight, g/mol:	284.144616
ΔH_f, kcal/mol:	-200.82
Dipole, Da:	10.23
IP(EA), eV:	-9.31(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethylheptyl benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C=C2)N=C4C=C(C(=O)C(=C4O3)F)F)F

DOS

IR

Vibrations