Geometry & MOs

Info

ID:	33788
PubChem CID:	7888107
Reduced:	OS2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	370.08097
ΔH_f, kcal/mol:	41.82
Dipole, Da:	3.45
IP(EA), eV:	-8.77(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)N[C@](C)(C#N)C4CC4

DOS

IR

Vibrations