Geometry & MOs

Info

ID:	448140
PubChem CID:	135288755
Reduced:	O3N6C36H44 (1)
Stoich.:	A3B6C36D44 (1)
Weight, g/mol:	582.108627
ΔH_f, kcal/mol:	-32.09
Dipole, Da:	7.21
IP(EA), eV:	-8.08(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-3-phenyl-N-quinoxalin-6-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C(N1C(C(=O)O)OC(C)(C)C)N3CCC(CC3)(C)C)C4=CC=CC(=C4)C5=CN(N=C5)CC6=CC=CC=C6

DOS

IR

Vibrations