Geometry & MOs

Info

ID:	393615
PubChem CID:	135021206
Reduced:	FNC9H16 (1)
Stoich.:	ABC9D16 (1)
Weight, g/mol:	303.043953
ΔH_f, kcal/mol:	-51.42
Dipole, Da:	1.13
IP(EA), eV:	-9.16(1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(NE)-4-methyl-N-[(5-nitrocyclohexa-1,3,5-trien-1-yl)methylidene]benzenesulfonamide

Drug info:

PubChemData

Smile

C=CCN[C@H]1CCCC[C@@H]1F

DOS

IR

Vibrations