Geometry & MOs

Info

ID:	421804
PubChem CID:	135116645
Reduced:	SF2O3N7C35H45 (1)
Stoich.:	AB2C3D7E35F45 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-138.04
Dipole, Da:	8.62
IP(EA), eV:	-8.75(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(4-propylphenyl)sulfonyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CSC(=C2)CN3CCCCNC(=O)[C@@H]4C[C@@H](CN4C(=O)C5=NN(C=C5)C(F)F)N(CCC3)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations