Geometry & MOs

Info

ID:	411519
PubChem CID:	135084351
Reduced:	BNF3C7H16 (1)
Stoich.:	ABC3D7E16 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-296.93
Dipole, Da:	8.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763999
Charge, e:	0

Chem-info

IUPAC name:

(NE)-2,4-dimethyl-N-propylidenebenzenesulfonamide

Drug info:

PubChemData

Smile

[B-](NC(C)CCC(C)C)(F)(F)F

DOS

IR

Vibrations