Geometry & MOs

Info

ID:	323155
PubChem CID:	126673058
Reduced:	ClON2C7H17 (1)
Stoich.:	ABC2D7E17 (1)
Weight, g/mol:	436.196669
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	9.01
IP(EA), eV:	-9.56(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C=C.CN(C)C.Cl

DOS

IR

Vibrations