Geometry & MOs

Info

ID:	444045
PubChem CID:	135261162
Reduced:	FSO2N7C24H26 (1)
Stoich.:	ABC2D7E24F26 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	6.36
Dipole, Da:	5.09
IP(EA), eV:	-8.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-[(3-amino-4-oxo-1H-pyridin-2-yl)amino]ethyl]benzoate

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)CC(C(=O)N4CCN(CC4)CC5=CSN=N5)N)F

DOS

IR

Vibrations