Geometry & MOs

Info

ID:	133904
PubChem CID:	51611461
Reduced:	SF2O2N5C25H37 (1)
Stoich.:	AB2C2D5E25F37 (1)
Weight, g/mol:	377.220223
ΔH_f, kcal/mol:	-188.62
Dipole, Da:	2.48
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate

Drug info:

PubChemData

Smile

CC1CCC(C(C1)N2C(=O)C3CCCCC3N4C2=NN=C4SCC(=O)NC5CC(CCC5F)F)C

DOS

IR

Vibrations