Geometry & MOs

Info

ID:	19482
PubChem CID:	565118
Reduced:	NS2O3C18H31 (1)
Stoich.:	AB2C3D18E31 (1)
Weight, g/mol:	373.174536
ΔH_f, kcal/mol:	-188.93
Dipole, Da:	2.47
IP(EA), eV:	-8.7(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-acetyl-3,6-bis(tert-butylsulfanyl)-4-methyl-3,6-dihydro-2H-pyridin-2-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC(N(C(C1SC(C)(C)C)OC(=O)C)C(=O)C)SC(C)(C)C

DOS

IR

Vibrations