Geometry & MOs

Info

ID:	233994
PubChem CID:	92297488
Reduced:	NSO6H15C16 (1)
Stoich.:	ABC6D15E16 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-217.3
Dipole, Da:	3.33
IP(EA), eV:	-9.89(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-acetamido-3-(4-hydroxy-3,5-dimethylphenyl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)N1C(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/SC1=O

DOS

IR

Vibrations