Geometry & MOs

Info

ID:	180768
PubChem CID:	76683197
Reduced:	O4N5C16H27 (1)
Stoich.:	A4B5C16D27 (1)
Weight, g/mol:	395.216869
ΔH_f, kcal/mol:	-169.99
Dipole, Da:	5.03
IP(EA), eV:	-9.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-7-[1-(2-amino-4-oxo-4a,5,6,7-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)-1-hydroxypropan-2-yl]oxy-3-methylheptane-2,5-dione

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC(C)C(C1CC2C(=NC1)NC(=NC2=O)N)O)N

DOS

IR

Vibrations