Geometry & MOs

Info

ID:	192051
PubChem CID:	78220961
Reduced:	SN2O4C27H38 (1)
Stoich.:	AB2C4D27E38 (1)
Weight, g/mol:	490.286529
ΔH_f, kcal/mol:	-167.7
Dipole, Da:	4.09
IP(EA), eV:	-9.24(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(C2C1CC(C(=O)N2)CN(CC3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C

DOS

IR

Vibrations