Geometry & MOs

Info

ID:	150793
PubChem CID:	53790489
Reduced:	SO3N4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	342.146724
ΔH_f, kcal/mol:	-90.61
Dipole, Da:	5.31
IP(EA), eV:	-9.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-tert-butyl-4-methoxybenzoyl)oxymethyl]benzoic acid

Drug info:

PubChemData

Smile

CC1(C(N2[C@@H](S1)C(C2=O)N)C3=NC(=CC(=O)N3)O)C

DOS

IR

Vibrations