Geometry & MOs

Info

ID:	123400
PubChem CID:	50845731
Reduced:	ClNSO4H18C19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-109.2
Dipole, Da:	4.09
IP(EA), eV:	-8.7(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CNC(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)OC)OC

DOS

IR

Vibrations