Geometry & MOs

Info

ID:	122237
PubChem CID:	50798729
Reduced:	SN3O3C25H31 (1)
Stoich.:	AB3C3D25E31 (1)
Weight, g/mol:	457.087846
ΔH_f, kcal/mol:	-65.3
Dipole, Da:	5.59
IP(EA), eV:	-8.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C(=O)NC2=CC=CC=C2SCC3=CC(=O)N4C(=N3)C=C(O4)C

DOS

IR

Vibrations