Geometry & MOs

Info

ID:	134309
PubChem CID:	51677454
Reduced:	NO5H27C29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	426.12027
ΔH_f, kcal/mol:	-133.73
Dipole, Da:	7.42
IP(EA), eV:	-9.01(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R,6R)-5-acetyl-6-[4-[(2-fluorophenyl)methoxy]phenyl]-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(O1)C=CC(=C2)C(=C3[C@@H](N(C(=O)C3=O)C[C@@H]4CCCO4)C5=CC=CC6=CC=CC=C65)O

DOS

IR

Vibrations