Geometry & MOs

Info

ID:	426208
PubChem CID:	135142664
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	550.326754
ΔH_f, kcal/mol:	-43.48
Dipole, Da:	1.32
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(1R)-2-cyclopropyl-1-[4-[(1S)-1-[(1-ethyl-2-oxo-4H-pyrimido[4,5-d][1,3]oxazin-7-yl)amino]ethyl]phenyl]ethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CCNC(=O)CC1=NC2=C3C=CNC3=NC=C2N1)O

DOS

IR

Vibrations