Geometry & MOs

Info

ID:	64481
PubChem CID:	29201452
Reduced:	NSO4C10H14 (2)
Stoich.:	ABC4D10E14 (2)
Weight, g/mol:	451.177707
ΔH_f, kcal/mol:	-317.34
Dipole, Da:	5.16
IP(EA), eV:	-9.58(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations