Geometry & MOs

Info

ID:	65757
PubChem CID:	46386831
Reduced:	FO2N4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	404.128469
ΔH_f, kcal/mol:	-33.65
Dipole, Da:	6.73
IP(EA), eV:	-8.89(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(5-fluoro-2-pyridin-4-yl-1H-indol-3-yl)carbamoylamino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)NC2=C(NC3=C2C=C(C=C3)F)C4=CC=NC=C4

DOS

IR

Vibrations