Geometry & MOs

Info

ID:	73955
PubChem CID:	48421277
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-117.43
Dipole, Da:	4.4
IP(EA), eV:	-8.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations