Geometry & MOs

Info

ID:	156743
PubChem CID:	56374069
Reduced:	O2N7C22H25 (1)
Stoich.:	A2B7C22D25 (1)
Weight, g/mol:	432.091056
ΔH_f, kcal/mol:	13.24
Dipole, Da:	2.93
IP(EA), eV:	-8.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-4-[4-(1H-indol-3-yl)piperidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=CC=N2)NC(=O)N3CCN(CC3)C(=O)C4=NNC5=CC=CC=C54

DOS

IR

Vibrations