Geometry & MOs

Info

ID:	416826
PubChem CID:	135090486
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	363.136511
ΔH_f, kcal/mol:	-131.32
Dipole, Da:	2.54
IP(EA), eV:	-9.35(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]ethanone

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations