Geometry & MOs

Info

ID:	445002
PubChem CID:	135264249
Reduced:	PN5O5C26H32 (1)
Stoich.:	AB5C5D26E32 (1)
Weight, g/mol:	500.164714
ΔH_f, kcal/mol:	-192.0
Dipole, Da:	6.55
IP(EA), eV:	-8.93(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)cyclohexa-2,4-dien-1-yl]cyclohexyl]oxy-thiophen-2-ylphosphinic acid

Drug info:

PubChemData

Smile

CC1(C(=NC2=C(N=CN=C2O1)N)C3=CCC(C=C3)C4CCC(CC4)OP(=O)(O)OCC5=CC=NC=C5)C

DOS

IR

Vibrations