Geometry & MOs

Info

ID:	195311
PubChem CID:	78672336
Reduced:	FN2O4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	327.114044
ΔH_f, kcal/mol:	-146.3
Dipole, Da:	2.02
IP(EA), eV:	-9.52(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoate

Drug info:

PubChemData

Smile

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations