Geometry & MOs

Info

ID:	243054
PubChem CID:	99215314
Reduced:	OSN6C26H34 (1)
Stoich.:	ABC6D26E34 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	24.77
Dipole, Da:	4.62
IP(EA), eV:	-8.13(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methylpyridin-2-yl)-1-[(5-phenyl-2-sulfanylidene-1,3-oxazol-3-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=C(C=C4)C(C)(C)C)C

DOS

IR

Vibrations