Geometry & MOs

Info

ID:	139517
PubChem CID:	52546181
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	386.123504
ΔH_f, kcal/mol:	-15.59
Dipole, Da:	4.0
IP(EA), eV:	-8.71(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-methylimidazol-2-yl)methylsulfanyl]-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2=CC=CC=C2C3=CC=CS3

DOS

IR

Vibrations