Geometry & MOs

Info

ID:	65723
PubChem CID:	46386790
Reduced:	FO2N4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	404.128469
ΔH_f, kcal/mol:	-19.98
Dipole, Da:	1.55
IP(EA), eV:	-8.59(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=C(C3=C(N2)C=CC(=C3)F)NC(=O)NCC4=CC=CO4

DOS

IR

Vibrations