Geometry & MOs

Info

ID:	231763
PubChem CID:	87574615
Reduced:	NSO3C7H13 (1)
Stoich.:	ABC3D7E13 (1)
Weight, g/mol:	278.115424
ΔH_f, kcal/mol:	-137.93
Dipole, Da:	3.01
IP(EA), eV:	-9.03(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-methyl-4-(2-methylprop-2-enoyloxy)-3-propylbenzoic acid

Drug info:

PubChemData

Smile

CC(=O)CSCC[C@@H](C(=O)O)N

DOS

IR

Vibrations