Geometry & MOs

Info

ID:	49565
PubChem CID:	11533270
Reduced:	Si2O5C25H54 (1)
Stoich.:	A2B5C25D54 (1)
Weight, g/mol:	490.078777
ΔH_f, kcal/mol:	-366.62
Dipole, Da:	3.75
IP(EA), eV:	-8.89(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl)-(5-methylsulfonyl-2-morpholin-4-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)O[C@@H](C=O)[C@](C)(COCOC)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations