Geometry & MOs

Info

ID:	330801
PubChem CID:	127248208
Reduced:	SN3O3C25H27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	446.141262
ΔH_f, kcal/mol:	-62.61
Dipole, Da:	5.92
IP(EA), eV:	-9.34(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(SC3=C2C=CC=N3)C(=O)N4CCOCC4)C(=O)CCC5=CC=CC=C5

DOS

IR

Vibrations