Geometry & MOs

Info

ID:	130430
PubChem CID:	51088028
Reduced:	NS2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-88.46
Dipole, Da:	5.23
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1H-indole-6-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)NC(=O)C2=CC=CC=C2SC(C)C(=O)OC

DOS

IR

Vibrations