Geometry & MOs

Info

ID:	161177
PubChem CID:	57390964
Reduced:	ClSO3N4C15H15 (1)
Stoich.:	ABC3D4E15F15 (1)
Weight, g/mol:	411.15764
ΔH_f, kcal/mol:	-74.32
Dipole, Da:	6.14
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[4-(diaminomethylideneamino)sulfonylanilino]-2-oxoethyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

DOS

IR

Vibrations