Geometry & MOs

Info

ID:	323971
PubChem CID:	126676698
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	639.03842
ΔH_f, kcal/mol:	-158.46
Dipole, Da:	3.21
IP(EA), eV:	-9.41(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxypropan-2-yl (2S)-2-[[[(3R,4R)-4-bromo-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CC2=CC(=CC=C2)CO

DOS

IR

Vibrations