Geometry & MOs

Info

ID:	317912
PubChem CID:	126647594
Reduced:	NPO3C9H19 (1)
Stoich.:	ABC3D9E19 (1)
Weight, g/mol:	627.01843
ΔH_f, kcal/mol:	-167.19
Dipole, Da:	2.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758833
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[[(2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-(3-fluorophenoxy)phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)N[P+](=O)C(C)(C)C

DOS

IR

Vibrations