Geometry & MOs

Info

ID:	63562
PubChem CID:	26758629
Reduced:	NF2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	363.184586
ΔH_f, kcal/mol:	-231.73
Dipole, Da:	4.63
IP(EA), eV:	-8.86(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)CCC(=O)C2=CC=C(C=C2)F)F

DOS

IR

Vibrations