Geometry & MOs

Info

ID:	170989
PubChem CID:	75308592
Reduced:	ClFSO2N3C24H27 (1)
Stoich.:	ABCD2E3F24G27 (1)
Weight, g/mol:	546.200938
ΔH_f, kcal/mol:	-87.53
Dipole, Da:	3.76
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,4-difluorophenyl)-1-pyridazin-3-ylpyrrolidin-3-yl]-[4-(4-fluorophenyl)-4-hydroxy-3,5-dimethylpiperidin-1-yl]methanone;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(CNCCC2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)F)O.Cl

DOS

IR

Vibrations