Geometry & MOs

Info

ID:	59505
PubChem CID:	24875183
Reduced:	FN4O5C27H27 (1)
Stoich.:	AB4C5D27E27 (1)
Weight, g/mol:	473.120941
ΔH_f, kcal/mol:	-169.04
Dipole, Da:	5.76
IP(EA), eV:	-8.95(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-amino-1-[3-(2-fluoropyridin-3-yl)phenyl]isoindol-1-yl]phenyl] methanesulfonate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)F)C)C(=O)NC(CC2=CC=C(C=C2)C3=CC=C(O3)CNC4=NNC(=O)C4)C(=O)O

DOS

IR

Vibrations