Geometry & MOs

Info

ID:	138163
PubChem CID:	52321903
Reduced:	SN2O5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	371.219549
ΔH_f, kcal/mol:	-136.92
Dipole, Da:	2.63
IP(EA), eV:	-8.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[1-[[[2-oxo-2-[3-(1,2,4-triazol-4-yl)anilino]acetyl]amino]methyl]cyclohexyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@H]2CC(=O)N(C3=C2SC(=O)N3CC(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations