Geometry & MOs

Info

ID:	433334
PubChem CID:	135173471
Reduced:	BrSO2F3N4H14C18 (1)
Stoich.:	ABC2D3E4F14G18 (1)
Weight, g/mol:	556.304956
ΔH_f, kcal/mol:	-120.42
Dipole, Da:	5.25
IP(EA), eV:	-9.08(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexyl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC1F)S(=O)NC2=C(C(=C(C=C2)F)C(=O)C3=CNC4=C3C=C(C=N4)Br)F

DOS

IR

Vibrations