Geometry & MOs

Info

ID:	309198
PubChem CID:	126540028
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	522.295454
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	4.64
IP(EA), eV:	-9.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[[4-[(1S)-1-[(2-oxo-1-propan-2-yl-4H-pyrimido[4,5-d][1,3]oxazin-7-yl)amino]ethyl]phenyl]methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=NC(=NC=C2COC1=O)NC(C)C3=CC=C(C=C3)COC4CNC4

DOS

IR

Vibrations