Geometry & MOs

Info

ID:	73688
PubChem CID:	48420017
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	321.070465
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	5.25
IP(EA), eV:	-9.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-(3-methylbut-2-enylsulfonylmethyl)furan-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CS(=O)(=O)CC=C(C)C

DOS

IR

Vibrations