Geometry & MOs

Info

ID:	394890
PubChem CID:	135024041
Reduced:	NS2O3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	284.127395
ΔH_f, kcal/mol:	-60.32
Dipole, Da:	2.43
IP(EA), eV:	-9.1(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)sulfonyl-5-(trideuteriomethyl)hex-5-enamide

Drug info:

PubChemData

Smile

C[C@@H]([C@H](/C=C/C1=CC=CC=C1)OC(=O)C)C(=O)N2[C@H](CSC2=S)CC3=CC=CC=C3

DOS

IR

Vibrations