Geometry & MOs

Info

ID:	174809
PubChem CID:	75817959
Reduced:	ClSN2O6H13C14 (1)
Stoich.:	ABC2D6E13F14 (1)
Weight, g/mol:	405.196037
ΔH_f, kcal/mol:	-185.13
Dipole, Da:	2.92
IP(EA), eV:	-9.32(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-ethyl-[(2-methylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C2=CC=C(O2)S(=O)(=O)N

DOS

IR

Vibrations