Geometry & MOs

Info

ID:	146464
PubChem CID:	53694803
Reduced:	OSC26H54 (1)
Stoich.:	ABC26D54 (1)
Weight, g/mol:	408.125669
ΔH_f, kcal/mol:	-106.91
Dipole, Da:	2.51
IP(EA), eV:	-8.55(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,6-dinitro-N-propyl-4-(trifluoromethyl)anilino]propan-2-yl N-methylcarbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCS(=O)CCCCCCCCCCCCC

DOS

IR

Vibrations