Geometry & MOs

Info

ID:	417828
PubChem CID:	135102881
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	344.086449
ΔH_f, kcal/mol:	-138.43
Dipole, Da:	4.51
IP(EA), eV:	-9.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(2,5-dimethylthiophen-3-yl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC[C@@]1(C[C@H]2CC[C@@H]1N2S(=O)(=O)C3=C(ON=C3C)C)C(=O)N4CCCCC4

DOS

IR

Vibrations