Geometry & MOs

Info

ID:	63577
PubChem CID:	26758666
Reduced:	FSN2O5H17C18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	383.153286
ΔH_f, kcal/mol:	-221.16
Dipole, Da:	1.14
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations