Geometry & MOs

Info

ID:	445003
PubChem CID:	135264252
Reduced:	PSN4O4C24H29 (1)
Stoich.:	ABC4D4E24F29 (1)
Weight, g/mol:	458.244678
ΔH_f, kcal/mol:	-133.28
Dipole, Da:	7.23
IP(EA), eV:	-8.9(-0.66)
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]methyl-propan-2-ylphosphinic acid

Drug info:

PubChemData

Smile

CC1(C(=NC2=C(N=CN=C2O1)N)C3=CCC(C=C3)C4CCC(CC4)OP(=O)(C5=CC=CS5)O)C

DOS

IR

Vibrations