Geometry & MOs

Info

ID:	253014
PubChem CID:	103115481
Reduced:	SO2N5C11H15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-7.29
Dipole, Da:	5.82
IP(EA), eV:	-9.55(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-cyclopropylethyl)-5-(2,4-dimethyl-1,3-thiazol-5-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=C(N=NN2CCN)C(=O)OC

DOS

IR

Vibrations