Geometry & MOs

Info

ID:	309209
PubChem CID:	126540320
Reduced:	SN2O2C17H26 (1)
Stoich.:	AB2C2D17E26 (1)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	-52.08
Dipole, Da:	3.46
IP(EA), eV:	-8.77(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(1S)-1-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)phenyl]ethyl]amino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one

Drug info:

PubChemData

Smile

C1CC1CN[C@@H]2C[C@H]2C3CC(=CS3)C(=O)NC4CCOCC4

DOS

IR

Vibrations