Geometry & MOs

Info

ID:	327016
PubChem CID:	126688868
Reduced:	NSO6C23H31 (2)
Stoich.:	ABC6D23E31 (2)
Weight, g/mol:	261.126598
ΔH_f, kcal/mol:	-436.34
Dipole, Da:	10.92
IP(EA), eV:	-8.37(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propyl-6H-indolo[2,3-b][1,5]naphthyridine

Drug info:

PubChemData

Smile

CC1=C(C(CC(C1=O)OC(=O)NCCS(=O)(=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)OC(=O)NCCS(=O)(=O)O)C)C)C

DOS

IR

Vibrations