Geometry & MOs

Info

ID:	16786
PubChem CID:	476809
Reduced:	PN4O7C19H25 (1)
Stoich.:	AB4C7D19E25 (1)
Weight, g/mol:	452.146086
ΔH_f, kcal/mol:	-321.61
Dipole, Da:	6.77
IP(EA), eV:	-9.51(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1CC[C@@H](O1)N2C=CC(=NC2=O)N)OC3=CC=CC=C3

DOS

IR

Vibrations