Geometry & MOs

Info

ID:	68329
PubChem CID:	46508198
Reduced:	F3O3N4H19C20 (1)
Stoich.:	A3B3C4D19E20 (1)
Weight, g/mol:	478.136257
ΔH_f, kcal/mol:	-196.31
Dipole, Da:	11.43
IP(EA), eV:	-9.63(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CC2=C(N3C(=NC(=N3)C(F)(F)F)N=C2C)C

DOS

IR

Vibrations