Geometry & MOs

Info

ID:	426546
PubChem CID:	135146069
Reduced:	SO2N6C24H28 (1)
Stoich.:	AB2C6D24E28 (1)
Weight, g/mol:	419.04807
ΔH_f, kcal/mol:	11.14
Dipole, Da:	12.69
IP(EA), eV:	-8.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(3-bromo-2-methylphenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-2-oxoethyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C/4\C(=C5C=CSC5=NC4=O)N[C@@H]6CCCOC6)/N3

DOS

IR

Vibrations