Geometry & MOs

Info

ID:	33368
PubChem CID:	7886097
Reduced:	OSN2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-13.1
Dipole, Da:	4.48
IP(EA), eV:	-8.74(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2-methylphenyl)methyl]-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=C1SCC(=O)NC3(CCCC3)C#N)SC4=C2CCC4

DOS

IR

Vibrations