Geometry & MOs

Info

ID:	156023
PubChem CID:	56368811
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	414.14741
ΔH_f, kcal/mol:	-73.27
Dipole, Da:	3.1
IP(EA), eV:	-8.52(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]urea

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1C2=CC=CC=C2)C(=O)NCCOC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations