Geometry & MOs

Info

ID:	292302
PubChem CID:	114916299
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	280.063011
ΔH_f, kcal/mol:	-140.09
Dipole, Da:	4.22
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[[2-(triazol-1-yl)acetyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)NC1=C(SC=C1C)C(=O)OC

DOS

IR

Vibrations