Geometry & MOs

Info

ID:	46338
PubChem CID:	10523941
Reduced:	PN2O7C16H19 (1)
Stoich.:	AB2C7D16E19 (1)
Weight, g/mol:	382.059974
ΔH_f, kcal/mol:	-251.93
Dipole, Da:	7.92
IP(EA), eV:	-9.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3R,4S,5R)-4-dimethoxyphosphinothioyloxy-3-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)P(=O)(O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations