Geometry & MOs

Info

ID:	56119
PubChem CID:	17416412
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	418.99393
ΔH_f, kcal/mol:	-5.99
Dipole, Da:	5.95
IP(EA), eV:	-8.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations