Geometry & MOs

Info

ID:	33741
PubChem CID:	7887911
Reduced:	ClFN2O5H18C19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	361.053039
ΔH_f, kcal/mol:	-214.02
Dipole, Da:	3.39
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2=C(C=C(C=C2)OC)F

DOS

IR

Vibrations