Geometry & MOs

Info

ID:	32190
PubChem CID:	6435806
Reduced:	ClN2O6C23H29 (1)
Stoich.:	AB2C6D23E29 (1)
Weight, g/mol:	257.081184
ΔH_f, kcal/mol:	-254.7
Dipole, Da:	11.46
IP(EA), eV:	-8.81(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)C.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations