Geometry & MOs

Info

ID:	205405
PubChem CID:	80095777
Reduced:	FNO2S2H12C15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	1.43
IP(EA), eV:	-8.92(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)SCCS(=O)(=O)C2=CC=C(C=C2)C#N)F

DOS

IR

Vibrations