Geometry & MOs

Info

ID:	49449
PubChem CID:	11533038
Reduced:	O3N6C26H32 (1)
Stoich.:	A3B6C26D32 (1)
Weight, g/mol:	476.165745
ΔH_f, kcal/mol:	-30.73
Dipole, Da:	5.24
IP(EA), eV:	-8.55(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5S)-3-(4-methylbenzoyl)oxy-5-(4-methylsulfanylphenyl)oxolan-2-yl]methyl 4-methylbenzoate

Drug info:

PubChemData

Smile

CN1C(=O)C=C(N=C1N2CCOC(C2)C3=CC=C(C=C3)N4CCN(CC4)CCO)C5=CC=NC=C5

DOS

IR

Vibrations