Geometry & MOs

Info

ID:	121243
PubChem CID:	50759959
Reduced:	SN4O4C24H32 (1)
Stoich.:	AB4C4D24E32 (1)
Weight, g/mol:	507.219178
ΔH_f, kcal/mol:	-96.73
Dipole, Da:	5.04
IP(EA), eV:	-8.71(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCCC(C3)C(=O)N4CCN(CC4)C

DOS

IR

Vibrations