Geometry & MOs

Info

ID:	189479
PubChem CID:	77863922
Reduced:	SO4N5C20H27 (1)
Stoich.:	AB4C5D20E27 (1)
Weight, g/mol:	428.153656
ΔH_f, kcal/mol:	-121.61
Dipole, Da:	6.62
IP(EA), eV:	-8.63(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-(4-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-2-yl] N,N-dipropylcarbamate

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC1=CC(=NC(=N1)C2=CC=C(C=C2)NC(=O)NC)N3CCOCC3C

DOS

IR

Vibrations