Geometry & MOs

Info

ID:	418116
PubChem CID:	135103602
Reduced:	SO2N7C14H15 (1)
Stoich.:	AB2C7D14E15 (1)
Weight, g/mol:	436.097204
ΔH_f, kcal/mol:	43.22
Dipole, Da:	7.1
IP(EA), eV:	-8.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[[(1S,5S,6R,7R)-3-(1H-pyrazole-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)SCC2=CC=C(O2)C(=O)NCCC3=NC(=NN3)N

DOS

IR

Vibrations