Geometry & MOs

Info

ID:	46609
PubChem CID:	10525534
Reduced:	SN2O2C24H28 (1)
Stoich.:	AB2C2D24E28 (1)
Weight, g/mol:	409.130757
ΔH_f, kcal/mol:	-42.84
Dipole, Da:	1.76
IP(EA), eV:	-8.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibutyl-4-[(4-nitrophenyl)methylidene]-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione

Drug info:

PubChemData

Smile

CCN(CC)CCNC1=CC2=C(C=CC(O2)(C)C)C3=C1C(=O)C4=CC=CC=C4S3

DOS

IR

Vibrations