Geometry & MOs

Info

ID:	65727
PubChem CID:	46386795
Reduced:	FO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	342.112819
ΔH_f, kcal/mol:	-57.78
Dipole, Da:	5.08
IP(EA), eV:	-8.36(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)carbamoylamino]acetate

Drug info:

PubChemData

Smile

COCCNC(=O)NC1=C(NC2=C1C=C(C=C2)F)C3=CN=CC=C3

DOS

IR

Vibrations