Geometry & MOs

Info

ID:	300484
PubChem CID:	121335750
Reduced:	F2O2N5H27C28 (1)
Stoich.:	A2B2C5D27E28 (1)
Weight, g/mol:	1765.325512
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	5.71
IP(EA), eV:	-9.18(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@@H]2[C@H](OC(=O)[C@@]2(CC1(F)F)NC3=NC=CN3C)C)/C=C/C4=NC=C(C=C4)C5=CC=CC=C5C#N

DOS

IR

Vibrations