Geometry & MOs

Info

ID:	218069
PubChem CID:	85088815
Reduced:	N3O5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	425.132174
ΔH_f, kcal/mol:	-151.94
Dipole, Da:	2.69
IP(EA), eV:	-8.5(-0.21)
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-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC2C3CC4=CC(=C(C=C4C3NN2)OCCCO)OCCCO

DOS

IR

Vibrations