Geometry & MOs

Info

ID:	43007
PubChem CID:	10317709
Reduced:	O2N3H19C24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	47.06
Dipole, Da:	4.74
IP(EA), eV:	-8.69(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-methoxy-4-sulfamoylbenzamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)C(=O)C3=CC(=C4N3C5=CC=CC=C5C=C4)C#N

DOS

IR

Vibrations