Geometry & MOs

Info

ID:	188338
PubChem CID:	77700669
Reduced:	SN2F3O8C21H33 (1)
Stoich.:	AB2C3D8E21F33 (1)
Weight, g/mol:	310.138953
ΔH_f, kcal/mol:	-524.89
Dipole, Da:	6.53
IP(EA), eV:	-9.44(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[2-(4-nitrophenyl)-1-(tetrazolidin-5-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CCN(C1=NC2C3C(C(OC2S1)C(C(F)(F)F)O)OC(C(O3)(C)OC)(C)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations