Geometry & MOs

Info

ID:	323184
PubChem CID:	126673303
Reduced:	FN4H11C17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	415.100892
ΔH_f, kcal/mol:	91.03
Dipole, Da:	1.84
IP(EA), eV:	-9.09(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,9R)-7-(4-chlorophenyl)-9-(2-hydroxyethyl)-4,5,13-trimethyl-8-oxa-3-thia-13-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10-tetraen-12-one

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CN=C3N2N=C(C=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations