Geometry & MOs

Info

ID:	309207
PubChem CID:	126540298
Reduced:	ClO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	524.311104
ΔH_f, kcal/mol:	-56.18
Dipole, Da:	4.54
IP(EA), eV:	-9.15(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CCl)NC2=NC=C3COC(=O)N(C3=N2)CC(C)C

DOS

IR

Vibrations