Geometry & MOs

Info

ID:	34262
PubChem CID:	7890563
Reduced:	FNSO5H14C15 (1)
Stoich.:	ABCD5E14F15 (1)
Weight, g/mol:	373.144471
ΔH_f, kcal/mol:	-197.9
Dipole, Da:	8.33
IP(EA), eV:	-9.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC2=CC(=CC=C2)F

DOS

IR

Vibrations