Geometry & MOs

Info

ID:	56790
PubChem CID:	22390216
Reduced:	SSiN4O6C28H33 (1)
Stoich.:	ABC4D6E28F33 (1)
Weight, g/mol:	127.009185
ΔH_f, kcal/mol:	-139.7
Dipole, Da:	6.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.853861
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1,2-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1C3=CN4C=NC(=C4S3)C(=O)C5=CN=CC(=C5)CO[Si](C)(C)C(C)(C)C)C(=O)[O-])C(C)O

DOS

IR

Vibrations