Geometry & MOs

Info

ID:	142932
PubChem CID:	53118732
Reduced:	ClSN3O4C20H26 (1)
Stoich.:	ABC3D4E20F26 (1)
Weight, g/mol:	385.203528
ΔH_f, kcal/mol:	-127.92
Dipole, Da:	3.28
IP(EA), eV:	-9.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(C)C(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations