Geometry & MOs

Info

ID:	25584
PubChem CID:	626971
Reduced:	IO2C22H35 (1)
Stoich.:	AB2C22D35 (1)
Weight, g/mol:	299.034018
ΔH_f, kcal/mol:	-119.57
Dipole, Da:	2.51
IP(EA), eV:	-9.2(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,11-dimethyl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),4,9,11-pentaen-6-one

Drug info:

PubChemData

Smile

COC(=O)CCCCCCCCCCCCCCC1=CC=C(C=C1)I

DOS

IR

Vibrations