Geometry & MOs

Info

ID:	54850
PubChem CID:	17389396
Reduced:	BrSN2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	666.09364
ΔH_f, kcal/mol:	31.39
Dipole, Da:	2.47
IP(EA), eV:	-8.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione;hydrobromide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC(=C(C=C3)C)C.Br

DOS

IR

Vibrations