Geometry & MOs

Info

ID:	380970
PubChem CID:	134971582
Reduced:	NSSiO2C18H33 (1)
Stoich.:	ABCD2E18F33 (1)
Weight, g/mol:	335.155515
ΔH_f, kcal/mol:	-141.26
Dipole, Da:	3.99
IP(EA), eV:	-8.43(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[(S)-(4-methylphenyl)sulfinyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)N[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C

DOS

IR

Vibrations