Geometry & MOs

Info

ID:	160645
PubChem CID:	57389307
Reduced:	SN2O5C25H32 (1)
Stoich.:	AB2C5D25E32 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-197.51
Dipole, Da:	10.76
IP(EA), eV:	-9.0(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-(3-fluoropyridin-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C2CC3=CC(=NC=C3O2)C4=CC=C(C=C4)CS(=O)(=O)C

DOS

IR

Vibrations