Geometry & MOs

Info

ID:	226464
PubChem CID:	87457430
Reduced:	ClN5O5C10H12 (1)
Stoich.:	AB5C5D10E12 (1)
Weight, g/mol:	354.034414
ΔH_f, kcal/mol:	-116.16
Dipole, Da:	12.45
IP(EA), eV:	-9.25(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-4-methoxy-N-[methyl-(4-nitrophenyl)-lambda4-sulfanylidene]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3C(C([C@H](O3)CO)O)ON)NC(=NC2=O)Cl

DOS

IR

Vibrations