Geometry & MOs

Info

ID:	46188
PubChem CID:	10522911
Reduced:	O9C16H30 (1)
Stoich.:	A9B16C30 (1)
Weight, g/mol:	366.082684
ΔH_f, kcal/mol:	-430.99
Dipole, Da:	3.57
IP(EA), eV:	-10.11(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-11-phenyl-[1]benzothiolo[2,3-b]quinoline-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C(CCC(=C)[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O

DOS

IR

Vibrations