Geometry & MOs

Info

ID:	315626
PubChem CID:	126628260
Reduced:	BrN2O5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	367.174336
ΔH_f, kcal/mol:	-230.64
Dipole, Da:	4.67
IP(EA), eV:	-9.72(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,6R,6aS)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(pyrrolidin-1-ylmethyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H](C([C@@H](O1)N2C=C(C(=O)NC2=O)CBr)OC(=O)C)C

DOS

IR

Vibrations