Geometry & MOs

Info

ID:	132738
PubChem CID:	51410216
Reduced:	OF3N5H15C17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	407.14631
ΔH_f, kcal/mol:	-75.87
Dipole, Da:	9.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.066128
Charge, e:	1

Chem-info

IUPAC name:

[4-[[[(3R)-1,1-dioxothiolan-3-yl]-(thiophene-2-carbonyl)amino]methyl]phenyl]-diethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N=C(N=C(C(F)(F)F)[O-])N2CCC3=CC=CC=C32)C

DOS

IR

Vibrations