Geometry & MOs

Info

ID:	174796
PubChem CID:	75816070
Reduced:	SO3N5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	413.152161
ΔH_f, kcal/mol:	-99.43
Dipole, Da:	5.13
IP(EA), eV:	-9.27(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4CC5C(NC4)NC(NC5=O)O

DOS

IR

Vibrations