Geometry & MOs

Info

ID:	243588
PubChem CID:	99233175
Reduced:	SN5O5C19H23 (1)
Stoich.:	AB5C5D19E23 (1)
Weight, g/mol:	464.258754
ΔH_f, kcal/mol:	-64.86
Dipole, Da:	7.95
IP(EA), eV:	-9.02(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-[3-[(3R)-3-methylpiperidin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=NNC(=C3)C4CC4

DOS

IR

Vibrations