Geometry & MOs

Info

ID:	46864
PubChem CID:	10527987
Reduced:	ClN2S2C25H33 (1)
Stoich.:	AB2C2D25E33 (1)
Weight, g/mol:	460.0134
ΔH_f, kcal/mol:	26.01
Dipole, Da:	8.18
IP(EA), eV:	-8.2(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,6R)-3,4-diacetyloxy-6-bromo-6-dimethoxyphosphoryloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC2=C(NCC(=S)N=C2S1)C3=CC=CC=C3Cl

DOS

IR

Vibrations