Geometry & MOs

Info

ID:	232739
PubChem CID:	87576848
Reduced:	FNCl2O3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	265.098394
ΔH_f, kcal/mol:	-61.9
Dipole, Da:	4.64
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-4-butylsulfinyl-1-methoxy-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1(C(C1(C=C(Cl)Cl)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)(C)C(=O)OC#N)C

DOS

IR

Vibrations