Geometry & MOs

Info

ID:	421833
PubChem CID:	135116696
Reduced:	N2S2O4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	358.152872
ΔH_f, kcal/mol:	-101.29
Dipole, Da:	4.08
IP(EA), eV:	-9.2(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2=CC=C(S2)S(=O)(=O)N3CCC[C@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations