Geometry & MOs

Info

ID:	418169
PubChem CID:	135103743
Reduced:	ClOF2N4H11C12 (1)
Stoich.:	ABC2D4E11F12 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-61.66
Dipole, Da:	3.14
IP(EA), eV:	-10.26(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1=CN(N=N1)CCCNC(=O)C2=CC(=C(C=C2Cl)F)F

DOS

IR

Vibrations