Geometry & MOs

Info

ID:	310131
PubChem CID:	126575001
Reduced:	S2N4O6C15H23 (1)
Stoich.:	A2B4C6D15E23 (1)
Weight, g/mol:	445.182398
ΔH_f, kcal/mol:	-169.39
Dipole, Da:	2.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.991071
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C[N+](=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations