Geometry & MOs

Info

ID:	418126
PubChem CID:	135103633
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	344.086449
ΔH_f, kcal/mol:	75.05
Dipole, Da:	6.86
IP(EA), eV:	-9.28(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C[C@@H](N([C@H](C1)CC=C)CC2=NN=C(O2)C3=CN=CC=C3)CC=C

DOS

IR

Vibrations