Geometry & MOs

Info

ID:	69362
PubChem CID:	46530841
Reduced:	SO2N3C26H29 (1)
Stoich.:	AB2C3D26E29 (1)
Weight, g/mol:	453.168856
ΔH_f, kcal/mol:	0.38
Dipole, Da:	4.82
IP(EA), eV:	-8.59(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(E)-3-phenylprop-2-enyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=C(C=C2)/C=C/C(=O)NCC3=CC=CC=C3CN4CCCC4

DOS

IR

Vibrations