Geometry & MOs

Info

ID:	128299
PubChem CID:	51038008
Reduced:	ClS2N4O4H19C22 (1)
Stoich.:	AB2C4D4E19F22 (1)
Weight, g/mol:	237.14964
ΔH_f, kcal/mol:	-54.75
Dipole, Da:	6.18
IP(EA), eV:	-8.89(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,1,2,2-tetradeuterio-2-(5-methoxy-1H-indol-3-yl)(113C)ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)NCC(=O)O)C(NCC2=CC3=C(S2)C=C(C=C3)Cl)S(=O)(=O)C4=CN=CC=C4

DOS

IR

Vibrations