Geometry & MOs

Info

ID:	179474
PubChem CID:	76488250
Reduced:	NSO3C8H11 (2)
Stoich.:	ABC3D8E11 (2)
Weight, g/mol:	319.251129
ΔH_f, kcal/mol:	-252.0
Dipole, Da:	3.26
IP(EA), eV:	-9.01(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

CC(=O)N(C(=O)C(CSC(C)(C)C)N)S(=O)(=O)C1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations