Geometry & MOs

Info

ID:	403123
PubChem CID:	135058826
Reduced:	N2O2F7H21C22 (1)
Stoich.:	A2B2C7D21E22 (1)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	-386.81
Dipole, Da:	9.34
IP(EA), eV:	-9.06(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-(2-methoxyethoxy)-2-(4-methylphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)C(=O)NC2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F)N3CCOCC3

DOS

IR

Vibrations