Geometry & MOs

Info

ID:	33342
PubChem CID:	7886019
Reduced:	S2O3N4C17H18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	332.094312
ΔH_f, kcal/mol:	-66.54
Dipole, Da:	5.25
IP(EA), eV:	-8.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-(prop-2-enylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCNC3=O)SC4=C2CCC4

DOS

IR

Vibrations