Geometry & MOs

Info

ID:	419653
PubChem CID:	135108668
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	364.135782
ΔH_f, kcal/mol:	-106.62
Dipole, Da:	6.0
IP(EA), eV:	-8.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazol-6-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=CN12)CNC(=O)[C@@H]3CC[C@@H]([C@@H](C3)OC)O)C

DOS

IR

Vibrations