Geometry & MOs

Info

ID:	414749
PubChem CID:	135087710
Reduced:	N5O7C36H43 (1)
Stoich.:	A5B7C36D43 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	-223.29
Dipole, Da:	7.38
IP(EA), eV:	-8.67(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)OC)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations