Geometry & MOs

Info

ID:	313607
PubChem CID:	126616350
Reduced:	SCl2N3O4H31C35 (1)
Stoich.:	AB2C3D4E31F35 (1)
Weight, g/mol:	527.137862
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	8.55
IP(EA), eV:	-8.88(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[5-[bis(4-chlorophenyl)methyl]-2-nitroanilino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C(=O)O)C=C(C=C3)C(C6=CC=C(C=C6)Cl)C7=CC=C(C=C7)Cl

DOS

IR

Vibrations