Geometry & MOs

Info

ID:	44372
PubChem CID:	10503252
Reduced:	O2N6H24C25 (1)
Stoich.:	A2B6C24D25 (1)
Weight, g/mol:	440.186875
ΔH_f, kcal/mol:	61.66
Dipole, Da:	2.44
IP(EA), eV:	-9.31(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6S)-4-(2,2-dimethylpropanoyloxy)-3,5-dihydroxy-6-phenylsulfanyloxan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=NCC2=CN=CC=C2)NC#N)/C(=C\CCCC(=O)O)/C3=CN=CC=C3

DOS

IR

Vibrations