Geometry & MOs

Info

ID:	371870
PubChem CID:	131276421
Reduced:	ClN2S2O3C8H13 (1)
Stoich.:	AB2C2D3E8F13 (1)
Weight, g/mol:	212.058578
ΔH_f, kcal/mol:	-95.96
Dipole, Da:	4.89
IP(EA), eV:	-9.35(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-formyl-4-methylphenyl)-1,2-oxazole-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)NCC(C1=CC=C(S1)Cl)O

DOS

IR

Vibrations