Geometry & MOs

Info

ID:	51285
PubChem CID:	12013930
Reduced:	S8H14C17 (2)
Stoich.:	A8B14C17 (2)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	208.5
Dipole, Da:	2.5
IP(EA), eV:	-7.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,5R)-5-ethoxy-2-phenyl-1,2-oxazolidin-3-yl]chromen-4-one

Drug info:

PubChemData

Smile

C1CSC2=C(SC1)SC(=C3SC4=C(S3)SCC5=CC=C(CSC6=C(SCC7=CC=C(CS4)C=C7)SC(=C8SC9=C(S8)SCCCS9)S6)C=C5)S2

DOS

IR

Vibrations