Geometry & MOs

Info

ID:	381025
PubChem CID:	134971650
Reduced:	O3C19H26 (1)
Stoich.:	A3B19C26 (1)
Weight, g/mol:	442.063269
ΔH_f, kcal/mol:	-122.35
Dipole, Da:	2.21
IP(EA), eV:	-9.46(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-(4-nitro-N-(2,2,2-trifluoroacetyl)anilino)butanedithioate

Drug info:

PubChemData

Smile

CC(C)(C)OC1CC2(CCC1=C)OCC3=CC=CC=C3CO2

DOS

IR

Vibrations