Geometry & MOs

Info

ID:	414612
PubChem CID:	135087571
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	316.091535
ΔH_f, kcal/mol:	-109.72
Dipole, Da:	3.15
IP(EA), eV:	-8.9(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(4-methylthiophen-2-yl)sulfonyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

C1COCCN1CCC(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations