Geometry & MOs

Info

ID:	252995
PubChem CID:	103115359
Reduced:	SO3N5C12H15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	309.089561
ΔH_f, kcal/mol:	-62.63
Dipole, Da:	8.84
IP(EA), eV:	-9.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-2-methyl-3-oxopropyl)-5-(2,4-dimethyl-1,3-thiazol-5-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2CCNC(=O)C)C(=O)O

DOS

IR

Vibrations