Geometry & MOs

Info

ID:	161029
PubChem CID:	57390565
Reduced:	SO2N4F6H24C34 (1)
Stoich.:	AB2C4D6E24F34 (1)
Weight, g/mol:	334.142976
ΔH_f, kcal/mol:	-272.74
Dipole, Da:	4.5
IP(EA), eV:	-8.36(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=C(C=C2)C3=CN4C5=CC=CC=C5SC4=N3)NC(=O)CC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations