Geometry & MOs

Info

ID:	232823
PubChem CID:	87577132
Reduced:	NO2F3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	249.103479
ΔH_f, kcal/mol:	-205.19
Dipole, Da:	2.68
IP(EA), eV:	-10.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butylsulfanyl-1-methoxy-1-oxobutan-2-yl)carbamic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)C(C(F)F)F)C(N)O

DOS

IR

Vibrations