Geometry & MOs

Info

ID:	121251
PubChem CID:	50760270
Reduced:	SN4O4C26H30 (1)
Stoich.:	AB4C4D26E30 (1)
Weight, g/mol:	485.234828
ΔH_f, kcal/mol:	-67.77
Dipole, Da:	5.01
IP(EA), eV:	-9.21(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[5-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations