Geometry & MOs

Info

ID:	33344
PubChem CID:	7886021
Reduced:	OS2N3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	320.094312
ΔH_f, kcal/mol:	67.41
Dipole, Da:	3.71
IP(EA), eV:	-8.59(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCN1C(=O)C2=C(N=C1SCC3=CC(=CC=C3)C#N)SC4=C2CCC4

DOS

IR

Vibrations