Geometry & MOs

Info

ID:	89861
PubChem CID:	49965071
Reduced:	SO2F3N3H18C19 (1)
Stoich.:	AB2C3D3E18F19 (1)
Weight, g/mol:	370.083268
ΔH_f, kcal/mol:	-114.07
Dipole, Da:	3.84
IP(EA), eV:	-8.98(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-8-(2-chlorophenyl)-6,12-dimethyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,6,12-tetraen-10-one

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)N=C3C(=C2C(F)(F)F)C4=C(S3)C(=O)N5CCC[C@@H]5C(=O)N4

DOS

IR

Vibrations