Geometry & MOs

Info

ID:	421483
PubChem CID:	135116080
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-171.85
Dipole, Da:	5.44
IP(EA), eV:	-8.52(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN2CC[C@@H]([C@@H](C2)O)C(=O)O)C

DOS

IR

Vibrations