Geometry & MOs

Info

ID:	135996
PubChem CID:	51963841
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-37.36
Dipole, Da:	5.62
IP(EA), eV:	-8.56(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylsulfanylimidazol-1-yl)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CSC1=NC=CN1C2=CC=C(C=C2)C(=O)NCC[C@@H]3CCCO3

DOS

IR

Vibrations