Geometry & MOs

Info

ID:	237569
PubChem CID:	92719778
Reduced:	N3O4C29H29 (1)
Stoich.:	A3B4C29D29 (1)
Weight, g/mol:	310.080101
ΔH_f, kcal/mol:	-108.23
Dipole, Da:	4.58
IP(EA), eV:	-8.57(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,3aR,6R,6aS)-2-(2,4-dioxopyrimidin-1-yl)-3-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=CC4=C(C=C3)OC5=CC=CC=C5C(=O)N4C(C)C)C

DOS

IR

Vibrations