Geometry & MOs

Info

ID:	220598
PubChem CID:	85197931
Reduced:	NSiO2C19H33 (1)
Stoich.:	ABC2D19E33 (1)
Weight, g/mol:	341.076489
ΔH_f, kcal/mol:	-113.22
Dipole, Da:	2.89
IP(EA), eV:	-8.85(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenyl)-5,7-dimethyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C=[N+](CC1=CC=CC=C1)[O-])C(C)(C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations