Geometry & MOs

Info

ID:	379356
PubChem CID:	134419152
Reduced:	SO2F4N6H28C31 (1)
Stoich.:	AB2C4D6E28F31 (1)
Weight, g/mol:	417.287909
ΔH_f, kcal/mol:	-141.34
Dipole, Da:	2.75
IP(EA), eV:	-8.74(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-cyclononylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)F)N\2C(=O)CS/C2=N\C(=C)NCCC3=CC(=CC=C3)C4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations