Geometry & MOs

Info

ID:	315422
PubChem CID:	126626309
Reduced:	NC2H5 (4)
Stoich.:	AB2C5 (4)
Weight, g/mol:	532.181412
ΔH_f, kcal/mol:	3.56
Dipole, Da:	0.9
IP(EA), eV:	-8.26(2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1-(N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]anilino)-1-oxopropan-2-yl]sulfanyl-5-thiophen-3-yl-1,2,4-triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(NNC)N1CCC(CC1)N

DOS

IR

Vibrations