Geometry & MOs

Info

ID:	218163
PubChem CID:	85088975
Reduced:	NO5C26H29 (1)
Stoich.:	AB5C26D29 (1)
Weight, g/mol:	435.141676
ΔH_f, kcal/mol:	-102.12
Dipole, Da:	2.38
IP(EA), eV:	-8.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-5-(pyridin-2-ylsulfanylmethyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=NOC1CCCCO1)C=CC2=CC=CC=C2OCC=CC3=CC=CC=C3

DOS

IR

Vibrations