Geometry & MOs

Info

ID:	406499
PubChem CID:	135077820
Reduced:	ClNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	479.231427
ΔH_f, kcal/mol:	-81.35
Dipole, Da:	2.86
IP(EA), eV:	-8.33(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-N-[(3R)-5-[tert-butyl(diphenyl)silyl]oxypent-1-yn-3-yl]-2-methyl-N-prop-2-ynylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)N2[C@H]([C@]2(C(=O)OC)Cl)C(C)C

DOS

IR

Vibrations