Geometry & MOs

Info

ID:

172725

PubChem CID:

75544615

Reduced:

BrS2N3O4C21H24 (1)

Stoich.:

AB2C3D4E21F24 (1)

Weight, g/mol:

507.149778

ΔHf, kcal/mol:

-120.36

Dipole, Da:

2.44

IP(EA), eV:

 -8.78(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-5-oxo-1-sulfanylidene-5a,6,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC(=O)C2=C3NC(=O)C4CC(CCC4N3C(=S)S2)Br

DOS

IR

Vibrations