Geometry & MOs

Info

ID:	243957
PubChem CID:	99303008
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	422.175419
ΔH_f, kcal/mol:	-88.77
Dipole, Da:	2.87
IP(EA), eV:	-8.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-[[(3S)-2-oxopiperidin-3-yl]amino]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=CC=CC=C1)CNC(=O)CN2C=C(C3=CC=CC=C32)C

DOS

IR

Vibrations