Geometry & MOs

Info

ID:	178612
PubChem CID:	76356330
Reduced:	SO3N6C22H24 (1)
Stoich.:	AB3C6D22E24 (1)
Weight, g/mol:	415.142659
ΔH_f, kcal/mol:	7.5
Dipole, Da:	8.2
IP(EA), eV:	-9.16(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CCC(=O)NC(C3=NC(=NO3)C4=CC=NC=C4)C(C)C)C

DOS

IR

Vibrations