Geometry & MOs

Info

ID:	371774
PubChem CID:	131271608
Reduced:	ClO2N3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	239.036462
ΔH_f, kcal/mol:	5.07
Dipole, Da:	3.92
IP(EA), eV:	-9.96(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiadiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=C(C=C(C=N1)Cl)[N+](=O)[O-])N

DOS

IR

Vibrations