Geometry & MOs

Info

ID:	415946
PubChem CID:	135088948
Reduced:	SCl2N2O4C14H18 (1)
Stoich.:	AB2C2D4E14F18 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-160.22
Dipole, Da:	6.37
IP(EA), eV:	-9.52(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-2-[4-(5-methyltetrazol-1-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations