Geometry & MOs

Info

ID:	85736
PubChem CID:	49878631
Reduced:	BrSN2O5H17C18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	456.253669
ΔH_f, kcal/mol:	-168.1
Dipole, Da:	6.16
IP(EA), eV:	-9.69(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-acetamido-2-butyl-N-cyclohexyl-8-fluoro-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)S(=O)(=O)NC(CC(=O)O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations