Geometry & MOs

Info

ID:	308530
PubChem CID:	125333411
Reduced:	S2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	471.124192
ΔH_f, kcal/mol:	-11.47
Dipole, Da:	4.39
IP(EA), eV:	-8.73(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

C1CN(CCS[C@H]1[C@@H]2CC=CS2)C(=O)C3=NN=C(C3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations