Geometry & MOs

Info

ID:	405063
PubChem CID:	135072382
Reduced:	BrNSH9C13 (2)
Stoich.:	ABCD9E13 (2)
Weight, g/mol:	231.1293
ΔH_f, kcal/mol:	152.27
Dipole, Da:	3.38
IP(EA), eV:	-8.61(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,R)-2-methyl-N-(6-oxoheptylidene)propane-2-sulfinamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N=CC2=CC=C(C=C2)Br)SSC3=CC=CC=C3N=CC4=CC=C(C=C4)Br

DOS

IR

Vibrations