Geometry & MOs

Info

ID:	188292
PubChem CID:	77695392
Reduced:	SO3N4C26H32 (1)
Stoich.:	AB3C4D26E32 (1)
Weight, g/mol:	464.213364
ΔH_f, kcal/mol:	-42.08
Dipole, Da:	2.13
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[[4-oxo-6-(3-phenylprop-1-ynyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC(OC2)C3=CC=CC=C3)CC(COC4=CC5=C(C=C4)SC(=N5)C)O

DOS

IR

Vibrations