Geometry & MOs

Info

ID:	68984
PubChem CID:	46514731
Reduced:	O2F3N4H21C23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	356.083078
ΔH_f, kcal/mol:	-166.98
Dipole, Da:	8.25
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-oxo-1H-quinoline-3-carbonyl)amino]-3-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations