Geometry & MOs

Info

ID:	146552
PubChem CID:	53704563
Reduced:	ClS2N3O9H16C19 (1)
Stoich.:	AB2C3D9E16F19 (1)
Weight, g/mol:	303.256215
ΔH_f, kcal/mol:	-226.28
Dipole, Da:	7.65
IP(EA), eV:	-8.76(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(cyclohexylmethyl)-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydroacridin-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)N(C3=C(C4=C(C=C3)OCO4)OC)C(=O)OC

DOS

IR

Vibrations