Geometry & MOs

Info

ID:	414817
PubChem CID:	135087780
Reduced:	N5O5C23H31 (1)
Stoich.:	A5B5C23D31 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	-194.29
Dipole, Da:	8.93
IP(EA), eV:	-8.8(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazol-6-yl-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)C(=O)CO)CC2=CNC3=CC=CC=C32

DOS

IR

Vibrations