Geometry & MOs

Info

ID:	318282
PubChem CID:	126650257
Reduced:	N3O3C8H11 (1)
Stoich.:	A3B3C8D11 (1)
Weight, g/mol:	299.111063
ΔH_f, kcal/mol:	-95.55
Dipole, Da:	6.72
IP(EA), eV:	-9.87(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-N-[(2R)-5-(4-chlorophenyl)pent-4-en-2-yl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1NN=C2CO)C(=O)O

DOS

IR

Vibrations