Geometry & MOs

Info

ID:	128760
PubChem CID:	51057208
Reduced:	SN2O8C30H30 (1)
Stoich.:	AB2C8D30E30 (1)
Weight, g/mol:	447.164165
ΔH_f, kcal/mol:	-220.7
Dipole, Da:	3.84
IP(EA), eV:	-8.53(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-but-2-enedioic acid;6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=O)N(C3=CC=CC=C3S2)CCCNCC4COC5=CC=CC=C5O4.C(=O)(C(=O)O)O

DOS

IR

Vibrations