Geometry & MOs

Info

ID:	309642
PubChem CID:	126551750
Reduced:	SN4O11C26H36 (1)
Stoich.:	AB4C11D26E36 (1)
Weight, g/mol:	303.100777
ΔH_f, kcal/mol:	-473.78
Dipole, Da:	11.62
IP(EA), eV:	-9.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis(hydroxymethyl)-11H-indolo[3,2-c]quinoline-9-carbonitrile

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)/C=C/S(=O)(=O)C)NC(=O)C(C)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations