Geometry & MOs

Info

ID:	65708
PubChem CID:	46386775
Reduced:	FO2N4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	418.144119
ΔH_f, kcal/mol:	-32.53
Dipole, Da:	2.14
IP(EA), eV:	-8.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)NC2=C(NC3=C2C=C(C=C3)F)C4=CN=CC=C4

DOS

IR

Vibrations