Geometry & MOs

Info

ID:	230325
PubChem CID:	87570653
Reduced:	NO6C21H31 (1)
Stoich.:	AB6C21D31 (1)
Weight, g/mol:	446.260314
ΔH_f, kcal/mol:	-227.15
Dipole, Da:	3.51
IP(EA), eV:	-8.6(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(3-methylphenyl)methyl-[2-(oxan-4-yl)ethanethioyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C(=N/OCCCCC2COC(OC2C)(C)C(=O)O)/C

DOS

IR

Vibrations