Geometry & MOs

Info

ID:	144455
PubChem CID:	53370685
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	407.141596
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	5.25
IP(EA), eV:	-8.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=NC(=O)CC(C2=CN1)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations