Geometry & MOs

Info

ID:	121244
PubChem CID:	50760086
Reduced:	SN3O4C28H33 (1)
Stoich.:	AB3C4D28E33 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-82.87
Dipole, Da:	6.73
IP(EA), eV:	-9.0(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)/C=C/C4=CC=C(C=C4)C)C

DOS

IR

Vibrations