Geometry & MOs

Info

ID:	381793
PubChem CID:	134972622
Reduced:	NSO3H10C11 (2)
Stoich.:	ABC3D10E11 (2)
Weight, g/mol:	272.104859
ΔH_f, kcal/mol:	-182.09
Dipole, Da:	9.28
IP(EA), eV:	-8.92(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-hydroxy-2,4-dimethyl-3-phenoxybenzoate

Drug info:

PubChemData

Smile

C=C(CC(=O)NC1=CC=CC=C1SSC2=CC=CC=C2NC(=O)CC(=C)C(=O)O)C(=O)O

DOS

IR

Vibrations