Geometry & MOs

Info

ID:	141058
PubChem CID:	52811402
Reduced:	BrSO2N3C19H22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	319.108754
ΔH_f, kcal/mol:	-49.65
Dipole, Da:	5.4
IP(EA), eV:	-8.78(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-(5-chloro-1H-indole-2-carbonyl)piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC(=O)[C@@H](C(C)C)N2CCCC2=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations