Geometry & MOs

Info

ID:	245508
PubChem CID:	99453626
Reduced:	F2O2N3H19C25 (1)
Stoich.:	A2B2C3D19E25 (1)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	-47.26
Dipole, Da:	3.49
IP(EA), eV:	-9.49(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate

Drug info:

PubChemData

Smile

CN([C@H](C1=CC=CC=C1)C2=CC=C(C=C2)F)C(=O)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations