Geometry & MOs

Info

ID:	252743
PubChem CID:	103113703
Reduced:	SN3O4C8H11 (1)
Stoich.:	AB3C4D8E11 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-61.83
Dipole, Da:	2.82
IP(EA), eV:	-10.28(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNS(=O)(=O)N

DOS

IR

Vibrations