Geometry & MOs

Info

ID:	138485
PubChem CID:	52372539
Reduced:	FON2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-66.87
Dipole, Da:	2.14
IP(EA), eV:	-9.47(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=CC=C1F)NC(=O)N[C@@H](C)C2=CC=CC=C2

DOS

IR

Vibrations