Geometry & MOs

Info

ID:	36877
PubChem CID:	8014143
Reduced:	SO6C17H18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	404.048522
ΔH_f, kcal/mol:	-203.21
Dipole, Da:	6.32
IP(EA), eV:	-8.86(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-methoxy-4-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)COC(=O)C2=C(C=C(C=C2)SC)OC)C(=O)OC

DOS

IR

Vibrations