Geometry & MOs

Info

ID:	323960
PubChem CID:	126676674
Reduced:	ON7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	639.03842
ΔH_f, kcal/mol:	71.4
Dipole, Da:	4.86
IP(EA), eV:	-8.16(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C=C(C=N2)CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations