Geometry & MOs

Info

ID:	160496
PubChem CID:	57309844
Reduced:	ON4H70C72 (1)
Stoich.:	AB4C70D72 (1)
Weight, g/mol:	188.01433
ΔH_f, kcal/mol:	207.6
Dipole, Da:	5.14
IP(EA), eV:	-8.18(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,1-dioxo-2H-thiopyran-3-carboxylate

Drug info:

Smile

CN(C)C1=CC=CC=C1C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4N(C)C)C(C5=CC=CC=C5)OC(C6=CC=CC=C6)C(C7=CC=C(C=C7)C8=CC=CC=C8N(C)C)C9=CC=C(C=C9)C1=CC=CC=C1N(C)C

DOS

IR

Vibrations