Geometry & MOs

Info

ID:	162501
PubChem CID:	57394874
Reduced:	N2O5H30C32 (1)
Stoich.:	A2B5C30D32 (1)
Weight, g/mol:	399.0041
ΔH_f, kcal/mol:	-128.07
Dipole, Da:	5.01
IP(EA), eV:	-9.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3O)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations