Geometry & MOs

Info

ID:	420168
PubChem CID:	135111588
Reduced:	SO3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	424.130218
ΔH_f, kcal/mol:	-10.09
Dipole, Da:	6.23
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-(furan-2-yl)-N-(2-hydroxyethyl)-8-methyl-N-[(3-methylimidazol-4-yl)methyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CSC2=NNC(=N2)C3=CC=CO3)CC4=CC=NC=C4

DOS

IR

Vibrations