Geometry & MOs

Info

ID:	238551
PubChem CID:	92741866
Reduced:	O3N4C29H40 (1)
Stoich.:	A3B4C29D40 (1)
Weight, g/mol:	490.238019
ΔH_f, kcal/mol:	-137.81
Dipole, Da:	6.93
IP(EA), eV:	-8.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-10-acetamido-N-cyclohexyl-2-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C2C(=O)N([C@@](CN2C3=CC=CC=C31)(C)C(=O)NC4CCCCCC4)C5CCCCCC5

DOS

IR

Vibrations