Geometry & MOs

Info

ID:

237983

PubChem CID:

92723397

Reduced:

SN3O5C23H27 (1)

Stoich.:

AB3C5D23E27 (1)

Weight, g/mol:

472.262046

ΔHf, kcal/mol:

-172.87

Dipole, Da:

5.09

IP(EA), eV:

 -8.4(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

DOS

IR

Vibrations