Geometry & MOs

Info

ID:	141423
PubChem CID:	52875575
Reduced:	ClNSO3C16H24 (1)
Stoich.:	ABCD3E16F24 (1)
Weight, g/mol:	225.063722
ΔH_f, kcal/mol:	-135.59
Dipole, Da:	4.42
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-2-oxoethyl) 2,3-dihydroxy-4-methylbenzoate

Drug info:

PubChemData

Smile

CCO[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCCCl

DOS

IR

Vibrations