Geometry & MOs

Info

ID:	309273
PubChem CID:	126541496
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	530.216318
ΔH_f, kcal/mol:	-2.78
Dipole, Da:	5.05
IP(EA), eV:	-8.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-(3-methylphenyl)-1-(oxan-4-yl)piperidine-4-sulfinamide

Drug info:

PubChemData

Smile

CC(C)(C)CNCCN1C2=C(C(=NC=C2)N)N=C1SC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations