Geometry & MOs

Info

ID:	186001
PubChem CID:	77376008
Reduced:	NO4C23H35 (1)
Stoich.:	AB4C23D35 (1)
Weight, g/mol:	541.264414
ΔH_f, kcal/mol:	-198.92
Dipole, Da:	3.52
IP(EA), eV:	-8.31(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-hexoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridin-12-yl)sulfonyl]propyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C2CC(OC2=C(C(=C1N(C)C)C(C)C)C(C)C3CC(CC(=O)O3)O)(C)C

DOS

IR

Vibrations