Geometry & MOs

Info

ID:	213204
PubChem CID:	81063157
Reduced:	FNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	333.043771
ΔH_f, kcal/mol:	-190.25
Dipole, Da:	3.42
IP(EA), eV:	-9.5(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-3-methylsulfonylbenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations