Geometry & MOs

Info

ID:	163746
PubChem CID:	74335189
Reduced:	FO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	450.161329
ΔH_f, kcal/mol:	-137.76
Dipole, Da:	8.1
IP(EA), eV:	-9.29(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2,2-dimethyl-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)propyl]phenyl] oxolane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)N(CC2=CC(=CC(=C2)F)OC3CCCN(C3)C(=O)C)C(=O)N

DOS

IR

Vibrations