Geometry & MOs

Info

ID:	49971
PubChem CID:	11538526
Reduced:	FO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-32.85
Dipole, Da:	7.14
IP(EA), eV:	-8.88(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-5-phenyl-4-(4-phenylbutylamino)-2-propan-2-yl-1,2-thiazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)OC2CCN(CC2)C3=NN=C(N3C4=CN=C(C=C4)OC)C

DOS

IR

Vibrations