Geometry & MOs

Info

ID:	155737
PubChem CID:	56367276
Reduced:	ClN2S2O3C20H23 (1)
Stoich.:	AB2C2D3E20F23 (1)
Weight, g/mol:	361.155705
ΔH_f, kcal/mol:	-90.61
Dipole, Da:	6.14
IP(EA), eV:	-8.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(6-chloroindol-1-yl)acetyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)Cl)C(=O)NCC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations