Geometry & MOs

Info

ID:	121252
PubChem CID:	50760271
Reduced:	SN3O4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	485.234828
ΔH_f, kcal/mol:	-116.33
Dipole, Da:	5.04
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)/C=C/C4=C(C=CC(=C4)C)C

DOS

IR

Vibrations