Geometry & MOs

Info

ID:	49702
PubChem CID:	11533595
Reduced:	BrFO2N5H23C24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	512.178373
ΔH_f, kcal/mol:	-31.57
Dipole, Da:	3.11
IP(EA), eV:	-8.84(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=N)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2F)NC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations