Geometry & MOs

Info

ID:	158898
PubChem CID:	57244159
Reduced:	ClO4C14H15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	359.103873
ΔH_f, kcal/mol:	-157.56
Dipole, Da:	4.13
IP(EA), eV:	-9.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(3-hydroxy-4-methyl-2-nitrosophenyl)sulfonyloxybutanoate

Drug info:

PubChemData

Smile

C1CC(C1)(CC(C(=O)O)C(=O)O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations