Geometry & MOs

Info

ID:	127066
PubChem CID:	50989533
Reduced:	NO2F3C6H8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	144.035734
ΔH_f, kcal/mol:	-240.21
Dipole, Da:	5.25
IP(EA), eV:	-10.76(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isothiocyanatobutanamide

Drug info:

PubChemData

Smile

C([C@H]1[C@@H]([C@H]1N)C(F)(F)F)C(=O)O

DOS

IR

Vibrations