Geometry & MOs

Info

ID:	46524
PubChem CID:	10524984
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	399.288577
ΔH_f, kcal/mol:	-43.15
Dipole, Da:	3.88
IP(EA), eV:	-8.71(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-dodecyl-1,2-oxazol-3-yl)cyclopentyl]-imidazol-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSC3=CC=NC=C3

DOS

IR

Vibrations