Geometry & MOs

Info

ID:	122704
PubChem CID:	50817872
Reduced:	F2O3N4C24H24 (1)
Stoich.:	A2B3C4D24E24 (1)
Weight, g/mol:	420.159769
ΔH_f, kcal/mol:	-113.33
Dipole, Da:	7.99
IP(EA), eV:	-9.62(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[N-(3-fluorobenzoyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]benzoate

Drug info:

PubChemData

Smile

CN(CCC1=NOC(=N1)C2=CC=C(C=C2)C(=O)N3CCCCC3)C(=O)C4=C(C=CC=C4F)F

DOS

IR

Vibrations