Geometry & MOs

Info

ID:	243660
PubChem CID:	99233735
Reduced:	FN3O4C27H30 (1)
Stoich.:	AB3C4D27E30 (1)
Weight, g/mol:	462.193691
ΔH_f, kcal/mol:	-166.7
Dipole, Da:	4.81
IP(EA), eV:	-9.09(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)C2=CC=CC=C2C3=NC=C(O3)C4=CC=C(C=C4)F

DOS

IR

Vibrations