Geometry & MOs

Info

ID:	317992
PubChem CID:	126648226
Reduced:	SN3O6C14H17 (1)
Stoich.:	AB3C6D14E17 (1)
Weight, g/mol:	596.99147
ΔH_f, kcal/mol:	-190.44
Dipole, Da:	0.63
IP(EA), eV:	-8.91(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[[(2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-1H-pyrimidin-3-yl)-3-hydroxyoxolan-2-yl]methoxy-(3-methoxyphenoxy)phosphoryl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CSN(C1(O)O)CCN2C(=O)COC3=C2C=C(C=C3)C(=O)NO

DOS

IR

Vibrations