Geometry & MOs

Info

ID:	170454
PubChem CID:	75236517
Reduced:	N3O3C28H35 (1)
Stoich.:	A3B3C28D35 (1)
Weight, g/mol:	505.164697
ΔH_f, kcal/mol:	-92.62
Dipole, Da:	5.08
IP(EA), eV:	-8.63(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]phenyl]ethyl]-1,3-oxazinan-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=CC=C(C=C2)C(C)N3CCC(OC3=O)(CC(C)(C)O)C4=CC=CC=C4

DOS

IR

Vibrations