Geometry & MOs

Info

ID:	324839
PubChem CID:	126678451
Reduced:	SN2O4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	478.265457
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	5.8
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S)-9-[(1S)-1-(2,2-dimethylpropanoyloxy)ethyl]-8-(3,3,3-trifluoropropanoyl)-3,8-diazabicyclo[4.3.1]decane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCS(=O)(=O)C3=C2C=C(C=C3)C(=O)NO

DOS

IR

Vibrations