Geometry & MOs

Info

ID:	180721
PubChem CID:	76674454
Reduced:	BrO2N6C18H21 (1)
Stoich.:	AB2C6D18E21 (1)
Weight, g/mol:	479.00045
ΔH_f, kcal/mol:	-5.37
Dipole, Da:	2.33
IP(EA), eV:	-8.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[4-(1-hydroxypropyl)phenyl]-3-methyl-5-[2-(5H-1,3-thiazol-5-id-2-ylsulfanyl)ethyl]imidazolidine-2,4-dione;yttrium

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CN2C3=NC(=NC=C3NC2=O)NCC4CCNC4

DOS

IR

Vibrations