Geometry & MOs

Info

ID:	233633
PubChem CID:	91146768
Reduced:	C3H4N4 (2)
Stoich.:	A3B4C4 (2)
Weight, g/mol:	550.31016
ΔH_f, kcal/mol:	151.69
Dipole, Da:	3.7
IP(EA), eV:	-9.24(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-amino-4-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(6-ethyl-5-hydroxy-3-methyloxan-2-yl)oxy-3-hydroxycyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN=C(C1=NNC2=NC=NN2)N

DOS

IR

Vibrations