Geometry & MOs

Info

ID:	65447
PubChem CID:	38671672
Reduced:	N4O6H16C19 (1)
Stoich.:	A4B6C16D19 (1)
Weight, g/mol:	421.00958
ΔH_f, kcal/mol:	-141.48
Dipole, Da:	7.92
IP(EA), eV:	-8.97(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 5-bromo-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1NC(=O)CN3C(=O)C(=CN(C3=O)C4CC4)C#N)OCO2

DOS

IR

Vibrations