Geometry & MOs

Info

ID:

121887

PubChem CID:

50785486

Reduced:

SO2N5C20H23 (1)

Stoich.:

AB2C5D20E23 (1)

Weight, g/mol:

471.103497

ΔHf, kcal/mol:

9.56

Dipole, Da:

4.26

IP(EA), eV:

 -8.91(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(8-butyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)SC2=NN3C(=NN(C3=O)CC(=O)NCC4=CC=CC=C4)C=C2

DOS

IR

Vibrations