Geometry & MOs

Info

ID:	421674
PubChem CID:	135116410
Reduced:	SN4O5C15H24 (1)
Stoich.:	AB4C5D15E24 (1)
Weight, g/mol:	358.152872
ΔH_f, kcal/mol:	-212.92
Dipole, Da:	5.74
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-(2-methyl-1-benzofuran-5-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CC[C@]3(CCCN[C@@H]3C2)CO

DOS

IR

Vibrations