Geometry & MOs

Info

ID:	265411
PubChem CID:	103520128
Reduced:	SN2O2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	287.072848
ΔH_f, kcal/mol:	5.66
Dipole, Da:	5.56
IP(EA), eV:	-8.99(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCC2=CC(=C(C=C2)OC)C#N

DOS

IR

Vibrations