Geometry & MOs

Info

ID:	55862
PubChem CID:	17396720
Reduced:	ClF2N2O2H9C13 (1)
Stoich.:	AB2C2D2E9F13 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-134.7
Dipole, Da:	1.53
IP(EA), eV:	-9.17(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1H-indol-3-yl)-2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C2=NC=CC(=C2)Cl)OC(F)F

DOS

IR

Vibrations