Geometry & MOs

Info

ID:	387051
PubChem CID:	134983791
Reduced:	SN2O4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	366.124943
ΔH_f, kcal/mol:	-51.68
Dipole, Da:	3.24
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-1-(furan-2-yl)-2-nitrobutyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC(CC)(C(C1=CC2=CC=CC=C2C=C1)NS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

DOS

IR

Vibrations