Geometry & MOs

Info

ID:	148357
PubChem CID:	53788019
Reduced:	NSO2C29H51 (1)
Stoich.:	ABC2D29E51 (1)
Weight, g/mol:	509.255957
ΔH_f, kcal/mol:	-146.32
Dipole, Da:	3.09
IP(EA), eV:	-8.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-(3-methoxypropyl)-5,7,14-trioxo-2,3,4,4a,5a,6,7a,8,8a,9,10,11,12,12a,13,13a,13b,14a-octadecahydro-1H-anthra[1,2-b]quinoline-10-sulfonamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCSCCCNCCCOC(=O)C1=CC=CC=C1

DOS

IR

Vibrations