Geometry & MOs

Info

ID:	397847
PubChem CID:	135030836
Reduced:	SiO6C37H50 (1)
Stoich.:	AB6C37D50 (1)
Weight, g/mol:	263.131014
ΔH_f, kcal/mol:	-259.44
Dipole, Da:	2.65
IP(EA), eV:	-8.93(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-methyl-4-phenylbut-3-ynyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C=C([C@@H]([C@@H]([C@H]1C(CC(=C)C(=O)OC)O)C=C)C2COC(OC2)(C)C)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations