Geometry & MOs

Info

ID:	405559
PubChem CID:	135074461
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	513.236906
ΔH_f, kcal/mol:	-128.8
Dipole, Da:	1.42
IP(EA), eV:	-9.85(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methylphenyl)sulfonyl-4-phenyl-3,4-dihydro-2H-pyridin-6-yl]cyclobutan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](C1=CC=CC=C1)C(=O)OCC#C

DOS

IR

Vibrations