Geometry & MOs

Info

ID:	141956
PubChem CID:	52957218
Reduced:	SO2N10C25H27 (1)
Stoich.:	AB2C10D25E27 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	99.48
Dipole, Da:	1.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.802096
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-(3-butyliminoquinoxalin-2-ylidene)-3-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)NC1=O)N(C(=[N+]3CCN(CC3)C4=CC=CC=C4)N2)CCSC5=NN=NN5C6=CC=CC=C6

DOS

IR

Vibrations