Geometry & MOs

Info

ID:	221458
PubChem CID:	85273730
Reduced:	NO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-75.78
Dipole, Da:	3.68
IP(EA), eV:	-9.6(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1-benzothiophen-2-yl)methyl 2-amino-4-methylpentanoate

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations