Geometry & MOs

Info

ID:	37975
PubChem CID:	8026183
Reduced:	SO3N4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	390.082033
ΔH_f, kcal/mol:	-13.07
Dipole, Da:	1.71
IP(EA), eV:	-9.58(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]thiophen-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(O3)CC4=CC=CC=C4

DOS

IR

Vibrations