Geometry & MOs

Info

ID:	122926
PubChem CID:	50826776
Reduced:	SN3O4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-161.2
Dipole, Da:	6.08
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-phenyl-1-[2-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(C3)C(=O)NCC(C)C

DOS

IR

Vibrations