Geometry & MOs

Info

ID:	309384
PubChem CID:	126545860
Reduced:	OF2N2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	524.201731
ΔH_f, kcal/mol:	-131.26
Dipole, Da:	1.12
IP(EA), eV:	-8.99(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoroethyl 6-[(N-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]sulfonylanilino)methyl]pyridine-3-carbohydrazonate

Drug info:

PubChemData

Smile

CCC1=CCC(C[C@@H]1C)/C(=N/N)/OCC(F)F

DOS

IR

Vibrations