Geometry & MOs

Info

ID:	221055
PubChem CID:	85256681
Reduced:	NOSF3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-187.74
Dipole, Da:	5.82
IP(EA), eV:	-9.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyano-6-oxo-3-phenyldiazinane-4-carboxylate

Drug info:

PubChemData

Smile

C1CC2C(CC1C(F)(F)F)N3C=CC=C3C(=O)S2

DOS

IR

Vibrations