Geometry & MOs

Info

ID:	406368
PubChem CID:	135077385
Reduced:	ClN4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	758.20465
ΔH_f, kcal/mol:	57.5
Dipole, Da:	13.06
IP(EA), eV:	-7.77(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R)-3,4-dibenzoyloxy-5-(6-methyl-2-methylsulfanyl-7-oxo-4-phenylmethoxypteridin-8-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C=[N+]3[C@@H](CCC3=N2)CN)C.[Cl-]

DOS

IR

Vibrations