Geometry & MOs

Info

ID:	214438
PubChem CID:	84982119
Reduced:	ClSN2O5C18H21 (1)
Stoich.:	ABC2D5E18F21 (1)
Weight, g/mol:	314.106015
ΔH_f, kcal/mol:	-163.54
Dipole, Da:	8.46
IP(EA), eV:	-9.24(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-chlorophenyl)ethyl-[2-(3-cyanoanilino)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

COCCN(C1CCS(=O)(=O)C1)C(=O)COC2=C3C(=C(C=C2)Cl)C=CC=N3

DOS

IR

Vibrations