Geometry & MOs

Info

ID:	390538
PubChem CID:	134999629
Reduced:	NO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	291.165686
ΔH_f, kcal/mol:	-63.59
Dipole, Da:	2.42
IP(EA), eV:	-8.81(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1-phenylhept-1-yn-3-yl)propane-2-sulfinamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations